REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1zy8_1_C DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.585 177.584 0.002 0.000 1.274 1 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1 A CB 0.000 19.002 19.000 0.002 0.000 0.831 2 D N 1.762 122.163 120.400 0.002 0.000 2.813 2 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 2 D C 0.795 177.097 176.300 0.002 0.000 1.135 2 D CA 1.157 55.159 54.000 0.002 0.000 1.515 2 D CB -0.137 40.664 40.800 0.002 0.000 1.148 2 D HN 0.546 nan 8.370 nan 0.000 0.487 3 Q N 2.009 121.811 119.800 0.002 0.000 2.369 3 Q HA 0.115 4.455 4.340 -0.000 0.000 0.295 3 Q C -2.067 173.935 176.000 0.003 0.000 1.075 3 Q CA -0.755 55.050 55.803 0.003 0.000 0.941 3 Q CB 0.520 29.260 28.738 0.003 0.000 1.260 3 Q HN 0.279 nan 8.270 nan 0.000 0.417 4 P HA 0.072 nan 4.420 nan 0.000 0.272 4 P C -0.760 176.543 177.300 0.005 0.000 1.223 4 P CA 0.293 63.396 63.100 0.005 0.000 0.784 4 P CB 0.624 32.327 31.700 0.005 0.000 0.923 5 I N 1.166 121.739 120.570 0.005 0.000 2.607 5 I HA 0.293 4.463 4.170 -0.000 0.000 0.305 5 I C 0.308 176.429 176.117 0.007 0.000 0.995 5 I CA -0.666 60.637 61.300 0.005 0.000 1.148 5 I CB 1.338 39.339 38.000 0.002 0.000 1.323 5 I HN 0.114 nan 8.210 nan 0.000 0.461 6 D N 4.863 125.268 120.400 0.008 0.000 2.280 6 D HA 0.583 5.223 4.640 -0.000 0.000 0.236 6 D C -0.669 175.639 176.300 0.014 0.000 1.082 6 D CA -0.051 53.956 54.000 0.012 0.000 0.834 6 D CB 2.061 42.868 40.800 0.013 0.000 1.100 6 D HN 0.593 nan 8.370 nan 0.000 0.486 7 A N 2.203 125.033 122.820 0.017 0.000 2.449 7 A HA 0.396 4.716 4.320 -0.000 0.000 0.302 7 A C 0.382 177.986 177.584 0.034 0.000 1.048 7 A CA -0.679 51.370 52.037 0.020 0.000 0.708 7 A CB 1.561 20.563 19.000 0.004 0.000 1.274 7 A HN 0.265 nan 8.150 nan 0.000 0.410 8 D N 0.355 120.794 120.400 0.064 0.000 2.103 8 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 8 D C 0.355 176.667 176.300 0.020 0.000 0.978 8 D CA 1.702 55.764 54.000 0.102 0.000 0.829 8 D CB 0.098 41.062 40.800 0.272 0.000 0.981 8 D HN 0.222 nan 8.370 nan 0.000 0.464 9 V N 0.659 120.549 119.914 -0.041 0.000 2.487 9 V HA 0.288 4.407 4.120 -0.000 0.000 0.298 9 V C -0.373 175.661 176.094 -0.101 0.000 1.028 9 V CA -0.433 61.775 62.300 -0.153 0.000 0.860 9 V CB 2.151 33.762 31.823 -0.354 0.000 0.991 9 V HN -0.086 nan 8.190 nan 0.000 0.427 10 T N 4.798 119.306 114.554 -0.076 0.000 2.809 10 T HA 0.477 4.827 4.350 -0.000 0.000 0.296 10 T C -0.376 174.301 174.700 -0.038 0.000 1.015 10 T CA -0.284 61.790 62.100 -0.043 0.000 0.954 10 T CB 1.228 70.089 68.868 -0.011 0.000 0.950 10 T HN 0.332 nan 8.240 nan 0.000 0.450 11 V N 5.658 125.549 119.914 -0.039 0.000 2.407 11 V HA 0.461 4.581 4.120 -0.000 0.000 0.278 11 V C 0.152 176.265 176.094 0.031 0.000 1.037 11 V CA -0.820 61.470 62.300 -0.017 0.000 0.900 11 V CB 1.062 32.867 31.823 -0.030 0.000 0.983 11 V HN 0.786 nan 8.190 nan 0.000 0.459 12 I N 4.523 125.120 120.570 0.044 0.000 2.312 12 I HA 0.722 4.892 4.170 -0.000 0.000 0.290 12 I C 0.727 176.892 176.117 0.079 0.000 1.008 12 I CA -0.096 61.245 61.300 0.069 0.000 1.226 12 I CB 1.144 39.188 38.000 0.073 0.000 1.371 12 I HN 0.892 nan 8.210 nan 0.000 0.468 13 G N 3.924 112.781 108.800 0.093 0.000 3.067 13 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 13 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 13 G C -0.080 174.895 174.900 0.125 0.000 1.119 13 G CA -0.263 44.891 45.100 0.091 0.000 0.790 13 G HN 0.778 nan 8.290 nan 0.000 0.605 14 S N 1.082 116.860 115.700 0.130 0.000 2.601 14 S HA 0.600 5.070 4.470 -0.000 0.000 0.244 14 S C 1.370 176.069 174.600 0.165 0.000 1.001 14 S CA 0.680 58.992 58.200 0.187 0.000 0.984 14 S CB 0.697 63.977 63.200 0.134 0.000 0.842 14 S HN 1.979 nan 8.310 nan 0.000 0.474 15 G N 2.561 111.432 108.800 0.119 0.000 2.744 15 G HA2 0.310 4.270 3.960 -0.000 0.000 0.257 15 G HA3 0.310 4.270 3.960 -0.000 0.000 0.257 15 G C -1.703 173.315 174.900 0.196 0.000 1.244 15 G CA -1.188 43.980 45.100 0.113 0.000 0.916 15 G HN 0.218 nan 8.290 nan 0.000 0.564 16 P HA -0.009 nan 4.420 nan 0.000 0.228 16 P C 1.626 178.862 177.300 -0.107 0.000 1.151 16 P CA 1.385 64.524 63.100 0.064 0.000 0.770 16 P CB 0.175 31.906 31.700 0.052 0.000 0.786 17 G N -0.277 108.491 108.800 -0.053 0.000 2.439 17 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.212 17 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.212 17 G C 1.723 176.567 174.900 -0.094 0.000 1.199 17 G CA 0.656 45.699 45.100 -0.095 0.000 0.807 17 G HN 0.303 nan 8.290 nan 0.000 0.537 18 G N 0.264 109.060 108.800 -0.005 0.000 2.394 18 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 18 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 18 G C 1.721 176.698 174.900 0.129 0.000 1.165 18 G CA 1.323 46.451 45.100 0.046 0.000 0.784 18 G HN 0.576 nan 8.290 nan 0.000 0.535 19 Y N 1.463 121.844 120.300 0.135 0.000 2.314 19 Y HA 0.041 4.591 4.550 -0.000 0.000 0.293 19 Y C 2.391 178.434 175.900 0.238 0.000 1.129 19 Y CA 1.185 59.464 58.100 0.297 0.000 1.201 19 Y CB -0.707 37.786 38.460 0.057 0.000 0.999 19 Y HN 0.151 nan 8.280 nan 0.000 0.541 20 V N -0.124 119.423 119.914 -0.612 0.000 2.649 20 V HA 0.148 4.268 4.120 -0.000 0.000 0.248 20 V C 2.370 178.355 176.094 -0.182 0.000 1.054 20 V CA 1.308 63.325 62.300 -0.470 0.000 1.073 20 V CB -1.154 30.350 31.823 -0.531 0.000 0.699 20 V HN 0.442 nan 8.190 nan 0.000 0.463 21 A N 0.948 123.672 122.820 -0.160 0.000 1.908 21 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 21 A C 2.526 180.047 177.584 -0.104 0.000 1.181 21 A CA 2.546 54.502 52.037 -0.135 0.000 0.627 21 A CB -1.152 17.759 19.000 -0.149 0.000 0.818 21 A HN 1.026 nan 8.150 nan 0.000 0.445 22 A N -0.002 122.781 122.820 -0.061 0.000 1.858 22 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 22 A C 2.125 179.647 177.584 -0.104 0.000 1.190 22 A CA 1.540 53.500 52.037 -0.129 0.000 0.617 22 A CB -0.674 18.174 19.000 -0.253 0.000 0.827 22 A HN 0.488 nan 8.150 nan 0.000 0.443 23 I N -0.563 120.025 120.570 0.030 0.000 2.091 23 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 23 I C 2.572 178.696 176.117 0.012 0.000 1.061 23 I CA 1.950 63.287 61.300 0.061 0.000 1.317 23 I CB -0.270 37.835 38.000 0.175 0.000 1.031 23 I HN 0.212 nan 8.210 nan 0.000 0.401 24 K N 1.467 121.860 120.400 -0.010 0.000 2.044 24 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 24 K C 2.041 178.659 176.600 0.031 0.000 1.049 24 K CA 2.122 58.407 56.287 -0.004 0.000 0.927 24 K CB -0.770 31.711 32.500 -0.032 0.000 0.713 24 K HN 0.345 nan 8.250 nan 0.000 0.443 25 A N 0.330 123.155 122.820 0.010 0.000 1.902 25 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 25 A C 2.365 180.069 177.584 0.199 0.000 1.181 25 A CA 2.280 54.378 52.037 0.101 0.000 0.623 25 A CB -1.058 17.871 19.000 -0.119 0.000 0.818 25 A HN 0.420 nan 8.150 nan 0.000 0.443 26 A N -0.585 122.274 122.820 0.064 0.000 1.859 26 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 26 A C 2.085 179.694 177.584 0.041 0.000 1.198 26 A CA 1.857 53.920 52.037 0.043 0.000 0.629 26 A CB -0.798 18.193 19.000 -0.016 0.000 0.830 26 A HN 0.629 nan 8.150 nan 0.000 0.446 27 Q N -0.843 118.976 119.800 0.032 0.000 2.297 27 Q HA -0.066 4.274 4.340 -0.000 0.000 0.208 27 Q C 1.630 177.636 176.000 0.011 0.000 0.981 27 Q CA 1.058 56.872 55.803 0.018 0.000 0.876 27 Q CB -0.272 28.478 28.738 0.020 0.000 0.921 27 Q HN 0.686 nan 8.270 nan 0.000 0.446 28 L N -1.814 119.431 121.223 0.037 0.000 2.567 28 L HA 0.133 4.473 4.340 -0.000 0.000 0.225 28 L C 1.290 178.071 176.870 -0.150 0.000 1.119 28 L CA 0.511 55.341 54.840 -0.017 0.000 0.871 28 L CB 0.381 42.484 42.059 0.073 0.000 1.036 28 L HN 0.424 nan 8.230 nan 0.000 0.459 29 G N -0.696 108.031 108.800 -0.122 0.000 2.481 29 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.200 29 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.200 29 G C 0.183 174.966 174.900 -0.194 0.000 1.012 29 G CA -0.642 44.334 45.100 -0.206 0.000 0.676 29 G HN 0.067 nan 8.290 nan 0.000 0.488 30 F N 2.481 122.407 119.950 -0.040 0.000 2.607 30 F HA 0.390 4.917 4.527 -0.000 0.000 0.374 30 F C 1.175 176.946 175.800 -0.049 0.000 1.104 30 F CA 0.376 58.349 58.000 -0.044 0.000 1.296 30 F CB 0.653 39.620 39.000 -0.055 0.000 1.085 30 F HN -0.021 nan 8.300 nan 0.000 0.584 31 K N 2.374 122.859 120.400 0.141 0.000 2.363 31 K HA 0.135 4.455 4.320 -0.000 0.000 0.289 31 K C 0.072 176.704 176.600 0.054 0.000 1.063 31 K CA -0.082 56.243 56.287 0.063 0.000 0.967 31 K CB 0.329 32.854 32.500 0.040 0.000 0.987 31 K HN 0.810 nan 8.250 nan 0.000 0.473 32 T N 1.111 115.667 114.554 0.004 0.000 2.942 32 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 32 T C -1.152 173.497 174.700 -0.086 0.000 1.044 32 T CA -0.788 61.283 62.100 -0.049 0.000 1.023 32 T CB 1.608 70.425 68.868 -0.084 0.000 1.123 32 T HN 0.330 nan 8.240 nan 0.000 0.512 33 V N 1.569 121.429 119.914 -0.090 0.000 2.888 33 V HA 0.762 4.882 4.120 -0.000 0.000 0.309 33 V C -1.249 174.807 176.094 -0.063 0.000 1.114 33 V CA -0.800 61.454 62.300 -0.077 0.000 0.940 33 V CB 1.247 33.051 31.823 -0.032 0.000 1.021 33 V HN 1.249 nan 8.190 nan 0.000 0.426 34 C N 7.389 126.673 119.300 -0.026 0.000 2.369 34 C HA 0.747 5.207 4.460 -0.000 0.000 0.322 34 C C -0.359 174.734 174.990 0.171 0.000 1.258 34 C CA -0.574 58.485 59.018 0.068 0.000 1.487 34 C CB -0.254 27.543 27.740 0.095 0.000 2.165 34 C HN 0.871 nan 8.230 nan 0.000 0.483 35 I N 4.436 125.085 120.570 0.132 0.000 2.460 35 I HA 0.581 4.751 4.170 -0.000 0.000 0.298 35 I C -0.512 175.688 176.117 0.139 0.000 0.989 35 I CA -0.172 61.195 61.300 0.112 0.000 1.173 35 I CB 1.801 39.843 38.000 0.070 0.000 1.338 35 I HN 0.552 nan 8.210 nan 0.000 0.456 36 E N 4.796 125.075 120.200 0.132 0.000 2.274 36 E HA 0.237 4.587 4.350 -0.000 0.000 0.269 36 E C -0.079 176.547 176.600 0.044 0.000 0.891 36 E CA -0.800 55.671 56.400 0.118 0.000 0.784 36 E CB 1.550 31.386 29.700 0.227 0.000 1.225 36 E HN 0.598 nan 8.360 nan 0.000 0.412 37 K N 2.727 123.101 120.400 -0.045 0.000 2.103 37 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 37 K C 0.121 176.691 176.600 -0.050 0.000 1.052 37 K CA 0.577 56.809 56.287 -0.091 0.000 0.945 37 K CB -0.296 32.031 32.500 -0.289 0.000 0.722 37 K HN 0.346 nan 8.250 nan 0.000 0.443 38 N N 1.394 120.064 118.700 -0.050 0.000 2.399 38 N HA -0.012 4.728 4.740 -0.000 0.000 0.250 38 N C 0.322 175.836 175.510 0.006 0.000 1.272 38 N CA -0.315 52.715 53.050 -0.034 0.000 0.928 38 N CB 0.546 39.000 38.487 -0.056 0.000 1.158 38 N HN 0.133 nan 8.380 nan 0.000 0.463 39 E N -0.504 119.696 120.200 -0.001 0.000 2.511 39 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 39 E C 0.171 176.778 176.600 0.011 0.000 1.066 39 E CA 0.672 57.082 56.400 0.016 0.000 0.871 39 E CB 0.151 29.853 29.700 0.004 0.000 0.863 39 E HN 0.479 nan 8.360 nan 0.000 0.520 40 T N -0.482 114.063 114.554 -0.015 0.000 2.903 40 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 40 T C -0.313 174.332 174.700 -0.093 0.000 1.093 40 T CA -0.742 61.323 62.100 -0.058 0.000 1.002 40 T CB 1.179 70.007 68.868 -0.066 0.000 1.127 40 T HN -0.108 nan 8.240 nan 0.000 0.488 41 L N 2.026 123.142 121.223 -0.179 0.000 2.567 41 L HA 0.576 4.916 4.340 -0.000 0.000 0.238 41 L C 1.950 178.687 176.870 -0.222 0.000 1.168 41 L CA 0.191 54.886 54.840 -0.243 0.000 0.817 41 L CB 0.146 41.929 42.059 -0.459 0.000 1.409 41 L HN 1.110 nan 8.230 nan 0.000 0.502 42 G N -0.784 107.874 108.800 -0.236 0.000 2.205 42 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.261 42 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.261 42 G C 0.748 175.619 174.900 -0.048 0.000 0.980 42 G CA 0.402 45.397 45.100 -0.176 0.000 0.632 42 G HN 1.456 nan 8.290 nan 0.000 0.533 43 G N -1.023 107.750 108.800 -0.046 0.000 2.566 43 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.280 43 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.280 43 G C 1.390 176.266 174.900 -0.041 0.000 1.225 43 G CA 2.414 47.497 45.100 -0.029 0.000 0.966 43 G HN 2.064 nan 8.290 nan 0.000 0.560 44 T N -1.688 112.846 114.554 -0.033 0.000 2.985 44 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 44 T C 2.534 177.216 174.700 -0.030 0.000 1.076 44 T CA 2.530 64.607 62.100 -0.038 0.000 1.135 44 T CB -0.698 68.145 68.868 -0.042 0.000 0.890 44 T HN 1.446 nan 8.240 nan 0.000 0.480 45 C N 0.739 120.029 119.300 -0.017 0.000 2.436 45 C HA 0.092 4.552 4.460 -0.000 0.000 0.277 45 C C 2.489 177.459 174.990 -0.034 0.000 1.241 45 C CA 1.032 60.039 59.018 -0.018 0.000 1.721 45 C CB -1.545 26.199 27.740 0.006 0.000 2.043 45 C HN 0.660 nan 8.230 nan 0.000 0.472 46 L N 1.201 122.400 121.223 -0.041 0.000 2.270 46 L HA 0.188 4.528 4.340 -0.000 0.000 0.210 46 L C 1.947 178.779 176.870 -0.064 0.000 1.104 46 L CA 1.832 56.634 54.840 -0.064 0.000 0.804 46 L CB -0.893 41.108 42.059 -0.097 0.000 0.937 46 L HN 0.350 nan 8.230 nan 0.000 0.450 47 N N -0.938 117.727 118.700 -0.059 0.000 2.432 47 N HA 0.072 4.812 4.740 -0.000 0.000 0.174 47 N C 1.093 176.576 175.510 -0.044 0.000 1.037 47 N CA 1.484 54.500 53.050 -0.057 0.000 0.892 47 N CB 0.817 39.267 38.487 -0.062 0.000 1.049 47 N HN 0.379 nan 8.380 nan 0.000 0.442 48 V N -4.760 115.130 119.914 -0.039 0.000 3.699 48 V HA 0.583 4.703 4.120 -0.000 0.000 0.323 48 V C 0.624 176.705 176.094 -0.021 0.000 1.574 48 V CA 0.191 62.474 62.300 -0.028 0.000 1.240 48 V CB 0.482 32.288 31.823 -0.030 0.000 1.014 48 V HN 0.070 nan 8.190 nan 0.000 0.469 49 G N -0.569 108.214 108.800 -0.028 0.000 3.069 49 G HA2 0.147 4.107 3.960 -0.000 0.000 0.205 49 G HA3 0.147 4.107 3.960 -0.000 0.000 0.205 49 G C 1.084 175.960 174.900 -0.041 0.000 1.771 49 G CA 0.735 45.821 45.100 -0.024 0.000 0.739 49 G HN 0.159 nan 8.290 nan 0.000 0.784 50 C N 0.219 119.487 119.300 -0.053 0.000 2.349 50 C HA -0.129 4.331 4.460 -0.000 0.000 0.274 50 C C 2.878 177.793 174.990 -0.125 0.000 1.178 50 C CA 1.198 60.157 59.018 -0.099 0.000 1.769 50 C CB -0.979 26.711 27.740 -0.084 0.000 2.047 50 C HN 0.388 nan 8.230 nan 0.000 0.448 51 I N 1.348 121.863 120.570 -0.092 0.000 2.133 51 I HA -0.044 4.126 4.170 -0.000 0.000 0.238 51 I C -0.157 175.911 176.117 -0.081 0.000 1.074 51 I CA 1.445 62.691 61.300 -0.090 0.000 1.342 51 I CB -2.850 35.108 38.000 -0.070 0.000 1.053 51 I HN 0.237 nan 8.210 nan 0.000 0.404 52 P HA -0.115 nan 4.420 nan 0.000 0.215 52 P C 2.216 179.482 177.300 -0.056 0.000 1.157 52 P CA 1.690 64.760 63.100 -0.049 0.000 0.868 52 P CB 0.020 31.701 31.700 -0.032 0.000 0.788 53 S N -0.888 114.777 115.700 -0.058 0.000 2.368 53 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 53 S C 1.813 176.357 174.600 -0.094 0.000 1.044 53 S CA 1.869 60.033 58.200 -0.061 0.000 1.062 53 S CB -0.656 62.508 63.200 -0.061 0.000 0.931 53 S HN 0.018 nan 8.310 nan 0.000 0.440 54 K N 0.832 121.146 120.400 -0.144 0.000 2.288 54 K HA 0.221 4.541 4.320 -0.000 0.000 0.201 54 K C 1.944 178.482 176.600 -0.103 0.000 1.048 54 K CA 0.904 57.085 56.287 -0.178 0.000 0.956 54 K CB -0.375 31.952 32.500 -0.287 0.000 0.746 54 K HN 0.358 nan 8.250 nan 0.000 0.461 55 A N 0.087 122.859 122.820 -0.080 0.000 1.897 55 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 55 A C 1.770 179.325 177.584 -0.048 0.000 1.181 55 A CA 1.058 53.067 52.037 -0.047 0.000 0.620 55 A CB -0.404 18.570 19.000 -0.043 0.000 0.821 55 A HN 0.126 nan 8.150 nan 0.000 0.443 56 L N -0.273 120.899 121.223 -0.084 0.000 2.083 56 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 56 L C 2.428 179.224 176.870 -0.124 0.000 1.083 56 L CA 1.284 56.041 54.840 -0.138 0.000 0.752 56 L CB -0.941 40.992 42.059 -0.210 0.000 0.899 56 L HN 0.342 nan 8.230 nan 0.000 0.433 57 L N -0.908 120.261 121.223 -0.090 0.000 2.046 57 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 57 L C 2.403 179.250 176.870 -0.038 0.000 1.077 57 L CA 1.487 56.294 54.840 -0.056 0.000 0.747 57 L CB -0.607 41.436 42.059 -0.026 0.000 0.896 57 L HN 0.442 nan 8.230 nan 0.000 0.432 58 N N 0.172 118.852 118.700 -0.033 0.000 2.120 58 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 58 N C 1.455 176.989 175.510 0.040 0.000 1.024 58 N CA 1.689 54.726 53.050 -0.023 0.000 0.852 58 N CB 0.007 38.519 38.487 0.041 0.000 1.003 58 N HN 0.499 nan 8.380 nan 0.000 0.424 59 N N -0.361 118.389 118.700 0.084 0.000 2.290 59 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 59 N C 1.801 177.373 175.510 0.103 0.000 1.016 59 N CA 0.877 54.023 53.050 0.160 0.000 0.871 59 N CB -0.001 38.534 38.487 0.079 0.000 0.987 59 N HN 0.181 nan 8.380 nan 0.000 0.431 60 S N 0.328 116.024 115.700 -0.006 0.000 2.474 60 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 60 S C 1.753 176.411 174.600 0.096 0.000 0.997 60 S CA 0.862 59.047 58.200 -0.026 0.000 0.949 60 S CB -0.319 62.779 63.200 -0.169 0.000 0.766 60 S HN 0.402 nan 8.310 nan 0.000 0.517 61 H N 0.630 119.658 119.070 -0.070 0.000 2.294 61 H HA 0.061 4.617 4.556 -0.000 0.000 0.306 61 H C 1.578 176.857 175.328 -0.082 0.000 1.065 61 H CA 1.797 57.764 56.048 -0.136 0.000 1.343 61 H CB -0.846 28.727 29.762 -0.315 0.000 1.396 61 H HN 0.398 nan 8.280 nan 0.000 0.506 62 Y N -0.527 119.705 120.300 -0.113 0.000 2.207 62 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 62 Y C 2.564 178.315 175.900 -0.249 0.000 1.156 62 Y CA 1.655 59.611 58.100 -0.240 0.000 1.182 62 Y CB -1.174 37.256 38.460 -0.051 0.000 0.979 62 Y HN 0.384 nan 8.280 nan 0.000 0.521 63 Y N -0.281 120.001 120.300 -0.029 0.000 2.145 63 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 63 Y C 2.811 178.649 175.900 -0.104 0.000 1.145 63 Y CA 2.176 60.234 58.100 -0.069 0.000 1.148 63 Y CB -0.713 37.715 38.460 -0.052 0.000 0.981 63 Y HN 0.237 nan 8.280 nan 0.000 0.507 64 H N -0.203 118.806 119.070 -0.102 0.000 2.352 64 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 64 H C 2.104 177.239 175.328 -0.322 0.000 1.097 64 H CA 2.531 58.477 56.048 -0.170 0.000 1.311 64 H CB -0.304 29.419 29.762 -0.064 0.000 1.377 64 H HN 0.403 nan 8.280 nan 0.000 0.504 65 M N -0.604 118.703 119.600 -0.488 0.000 2.132 65 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 65 M C 2.585 178.301 176.300 -0.973 0.000 1.065 65 M CA 1.433 56.303 55.300 -0.717 0.000 1.122 65 M CB -0.132 31.978 32.600 -0.816 0.000 1.365 65 M HN 0.495 nan 8.290 nan 0.000 0.411 66 A N -0.870 121.361 122.820 -0.982 0.000 1.873 66 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 66 A C 2.029 179.363 177.584 -0.417 0.000 1.186 66 A CA 1.682 53.286 52.037 -0.721 0.000 0.616 66 A CB -1.088 17.660 19.000 -0.420 0.000 0.823 66 A HN 0.575 nan 8.150 nan 0.000 0.442 67 H N -0.303 118.378 119.070 -0.648 0.000 2.482 67 H HA 0.086 4.642 4.556 -0.000 0.000 0.286 67 H C 1.466 176.546 175.328 -0.412 0.000 1.017 67 H CA 1.121 56.831 56.048 -0.564 0.000 1.322 67 H CB -0.133 29.069 29.762 -0.933 0.000 1.426 67 H HN 0.440 nan 8.280 nan 0.000 0.546 68 G N 0.347 108.916 108.800 -0.385 0.000 2.783 68 G HA2 0.089 4.049 3.960 -0.000 0.000 0.182 68 G HA3 0.089 4.049 3.960 -0.000 0.000 0.182 68 G C 0.867 175.601 174.900 -0.277 0.000 1.516 68 G CA 0.201 45.079 45.100 -0.371 0.000 1.079 68 G HN 0.393 nan 8.290 nan 0.000 0.573 69 K N -0.980 119.295 120.400 -0.210 0.000 2.354 69 K HA 0.205 4.525 4.320 -0.000 0.000 0.194 69 K C 1.416 177.984 176.600 -0.052 0.000 1.038 69 K CA 0.622 56.845 56.287 -0.107 0.000 1.052 69 K CB 0.352 32.814 32.500 -0.062 0.000 0.861 69 K HN 0.369 nan 8.250 nan 0.000 0.535 70 D N 0.790 121.146 120.400 -0.073 0.000 2.106 70 D HA -0.190 4.449 4.640 -0.000 0.000 0.191 70 D C 1.214 177.610 176.300 0.160 0.000 0.997 70 D CA 1.350 55.364 54.000 0.024 0.000 0.834 70 D CB 0.048 40.838 40.800 -0.017 0.000 0.956 70 D HN 0.191 nan 8.370 nan 0.000 0.448 71 F N 1.300 121.192 119.950 -0.096 0.000 2.163 71 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 71 F C 2.627 178.389 175.800 -0.063 0.000 1.094 71 F CA 0.684 58.640 58.000 -0.074 0.000 1.290 71 F CB -1.247 37.703 39.000 -0.084 0.000 1.017 71 F HN -0.028 nan 8.300 nan 0.000 0.483 72 A N -0.418 122.477 122.820 0.124 0.000 2.084 72 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 72 A C 2.247 179.842 177.584 0.018 0.000 1.161 72 A CA 2.003 54.061 52.037 0.035 0.000 0.653 72 A CB -1.018 17.981 19.000 -0.001 0.000 0.802 72 A HN 0.404 nan 8.150 nan 0.000 0.457 73 S N -1.555 114.164 115.700 0.032 0.000 2.548 73 S HA 0.108 4.578 4.470 -0.000 0.000 0.215 73 S C 1.571 176.179 174.600 0.014 0.000 0.976 73 S CA 0.239 58.451 58.200 0.021 0.000 0.908 73 S CB -0.099 63.119 63.200 0.029 0.000 0.781 73 S HN 0.622 nan 8.310 nan 0.000 0.519 74 R N 0.161 120.663 120.500 0.004 0.000 2.308 74 R HA 0.309 4.649 4.340 -0.000 0.000 0.202 74 R C 1.292 177.556 176.300 -0.060 0.000 0.898 74 R CA 0.558 56.639 56.100 -0.031 0.000 1.046 74 R CB 0.402 30.659 30.300 -0.072 0.000 1.026 74 R HN 0.552 nan 8.270 nan 0.000 0.512 75 G N 1.518 110.286 108.800 -0.052 0.000 2.168 75 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.197 75 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.197 75 G C 0.087 174.941 174.900 -0.077 0.000 0.997 75 G CA -0.543 44.524 45.100 -0.054 0.000 0.658 75 G HN 0.173 nan 8.290 nan 0.000 0.513 76 I N 2.473 122.977 120.570 -0.109 0.000 2.282 76 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 76 I C -0.100 175.994 176.117 -0.037 0.000 1.090 76 I CA -0.569 60.657 61.300 -0.122 0.000 1.231 76 I CB 0.576 38.402 38.000 -0.290 0.000 1.434 76 I HN 0.024 nan 8.210 nan 0.000 0.487 77 E N 8.664 128.846 120.200 -0.030 0.000 2.249 77 E HA 0.502 4.852 4.350 -0.000 0.000 0.280 77 E C -0.355 176.241 176.600 -0.007 0.000 1.016 77 E CA -0.463 55.928 56.400 -0.014 0.000 0.830 77 E CB 1.972 31.660 29.700 -0.019 0.000 1.081 77 E HN 0.551 nan 8.360 nan 0.000 0.395 78 M N -0.337 119.262 119.600 -0.003 0.000 2.164 78 M HA 0.239 4.719 4.480 -0.000 0.000 0.260 78 M C 0.694 176.984 176.300 -0.016 0.000 0.974 78 M CA -0.830 54.469 55.300 -0.002 0.000 1.020 78 M CB 1.611 34.222 32.600 0.020 0.000 1.903 78 M HN 0.471 nan 8.290 nan 0.000 0.469 79 S N 1.303 116.994 115.700 -0.015 0.000 1.931 79 S HA -0.267 4.203 4.470 -0.000 0.000 0.521 79 S C 0.535 175.120 174.600 -0.026 0.000 0.931 79 S CA 1.816 60.006 58.200 -0.016 0.000 3.252 79 S CB -0.653 62.543 63.200 -0.006 0.000 2.277 79 S HN 0.897 nan 8.310 nan 0.000 0.559 80 E N 0.528 120.719 120.200 -0.014 0.000 2.272 80 E HA 0.667 5.017 4.350 -0.000 0.000 0.269 80 E C -1.698 174.905 176.600 0.004 0.000 0.877 80 E CA -0.643 55.752 56.400 -0.009 0.000 0.755 80 E CB 2.323 32.031 29.700 0.013 0.000 1.192 80 E HN 0.411 nan 8.360 nan 0.000 0.422 81 V N 4.133 124.054 119.914 0.011 0.000 2.384 81 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 81 V C 0.196 176.399 176.094 0.181 0.000 1.020 81 V CA -0.608 61.731 62.300 0.065 0.000 0.850 81 V CB 1.555 33.377 31.823 -0.002 0.000 0.987 81 V HN 0.451 nan 8.190 nan 0.000 0.436 82 R N 2.923 123.524 120.500 0.169 0.000 2.664 82 R HA 0.670 5.010 4.340 -0.000 0.000 0.286 82 R C -1.170 175.265 176.300 0.225 0.000 0.967 82 R CA -0.922 55.291 56.100 0.188 0.000 0.933 82 R CB 1.913 32.278 30.300 0.107 0.000 1.146 82 R HN 0.567 nan 8.270 nan 0.000 0.468 83 L N 2.986 124.315 121.223 0.177 0.000 2.264 83 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 83 L C -0.974 175.894 176.870 -0.004 0.000 1.044 83 L CA -0.235 54.624 54.840 0.031 0.000 0.807 83 L CB 1.095 43.017 42.059 -0.228 0.000 1.192 83 L HN 0.468 nan 8.230 nan 0.000 0.425 84 N N 5.011 123.710 118.700 -0.002 0.000 2.546 84 N HA 0.172 4.912 4.740 -0.000 0.000 0.238 84 N C 0.638 176.134 175.510 -0.024 0.000 0.984 84 N CA -0.231 52.816 53.050 -0.004 0.000 0.935 84 N CB 0.698 39.192 38.487 0.010 0.000 1.122 84 N HN 0.874 nan 8.380 nan 0.000 0.510 85 L N 2.149 123.357 121.223 -0.025 0.000 2.141 85 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 85 L C 0.476 177.345 176.870 -0.002 0.000 1.094 85 L CA 1.424 56.252 54.840 -0.019 0.000 0.763 85 L CB 0.151 42.227 42.059 0.027 0.000 0.908 85 L HN 0.479 nan 8.230 nan 0.000 0.437 86 D N -0.917 119.485 120.400 0.004 0.000 2.194 86 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 86 D C 2.083 178.383 176.300 -0.000 0.000 0.964 86 D CA 0.459 54.463 54.000 0.006 0.000 0.846 86 D CB 0.031 40.835 40.800 0.006 0.000 0.962 86 D HN -0.063 nan 8.370 nan 0.000 0.490 87 K N 0.805 121.203 120.400 -0.003 0.000 2.009 87 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 87 K C 2.021 178.616 176.600 -0.009 0.000 1.049 87 K CA 0.901 57.186 56.287 -0.003 0.000 0.929 87 K CB -0.705 31.796 32.500 0.001 0.000 0.714 87 K HN 0.233 nan 8.250 nan 0.000 0.440 88 M N -0.512 119.077 119.600 -0.018 0.000 2.106 88 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 88 M C 2.021 178.302 176.300 -0.032 0.000 1.068 88 M CA 1.780 57.060 55.300 -0.033 0.000 1.100 88 M CB -0.095 32.461 32.600 -0.074 0.000 1.351 88 M HN 0.078 nan 8.290 nan 0.000 0.404 89 M N 0.406 119.994 119.600 -0.021 0.000 2.175 89 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 89 M C 1.962 178.258 176.300 -0.007 0.000 1.063 89 M CA 1.786 57.081 55.300 -0.007 0.000 1.119 89 M CB -0.589 32.022 32.600 0.019 0.000 1.377 89 M HN 0.405 nan 8.290 nan 0.000 0.415 90 E N -0.674 119.522 120.200 -0.006 0.000 2.070 90 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 90 E C 2.066 178.659 176.600 -0.011 0.000 1.004 90 E CA 1.445 57.841 56.400 -0.008 0.000 0.805 90 E CB -0.184 29.512 29.700 -0.006 0.000 0.744 90 E HN 0.472 nan 8.360 nan 0.000 0.451 91 Q N 1.056 120.850 119.800 -0.010 0.000 2.077 91 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 91 Q C 2.176 178.168 176.000 -0.013 0.000 0.989 91 Q CA 1.959 57.757 55.803 -0.008 0.000 0.853 91 Q CB -0.284 28.453 28.738 -0.001 0.000 0.907 91 Q HN 0.210 nan 8.270 nan 0.000 0.418 92 K N -0.292 120.097 120.400 -0.017 0.000 2.002 92 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 92 K C 2.104 178.690 176.600 -0.024 0.000 1.048 92 K CA 1.712 57.985 56.287 -0.023 0.000 0.930 92 K CB -0.128 32.355 32.500 -0.028 0.000 0.714 92 K HN 0.101 nan 8.250 nan 0.000 0.438 93 S N 0.531 116.219 115.700 -0.020 0.000 2.402 93 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 93 S C 1.910 176.495 174.600 -0.026 0.000 1.030 93 S CA 1.940 60.127 58.200 -0.022 0.000 1.003 93 S CB -0.447 62.744 63.200 -0.016 0.000 0.813 93 S HN 0.461 nan 8.310 nan 0.000 0.477 94 T N 1.856 116.396 114.554 -0.023 0.000 2.904 94 T HA 0.101 4.451 4.350 -0.000 0.000 0.267 94 T C 2.132 176.813 174.700 -0.031 0.000 1.059 94 T CA 1.018 63.103 62.100 -0.025 0.000 1.137 94 T CB -0.342 68.514 68.868 -0.020 0.000 0.879 94 T HN 0.479 nan 8.240 nan 0.000 0.467 95 A N 0.853 123.655 122.820 -0.030 0.000 1.854 95 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 95 A C 2.535 180.091 177.584 -0.046 0.000 1.192 95 A CA 1.051 53.067 52.037 -0.035 0.000 0.611 95 A CB -1.084 17.898 19.000 -0.030 0.000 0.832 95 A HN 0.300 nan 8.150 nan 0.000 0.442 96 V N 0.448 120.334 119.914 -0.047 0.000 2.252 96 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 96 V C 2.681 178.736 176.094 -0.066 0.000 1.056 96 V CA 2.456 64.721 62.300 -0.057 0.000 1.022 96 V CB -0.555 31.237 31.823 -0.052 0.000 0.641 96 V HN 0.411 nan 8.190 nan 0.000 0.445 97 K N 0.033 120.399 120.400 -0.056 0.000 2.057 97 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 97 K C 2.235 178.794 176.600 -0.068 0.000 1.049 97 K CA 1.681 57.932 56.287 -0.060 0.000 0.931 97 K CB -1.055 31.417 32.500 -0.047 0.000 0.714 97 K HN 0.495 nan 8.250 nan 0.000 0.440 98 A N 0.513 123.297 122.820 -0.061 0.000 1.978 98 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 98 A C 2.095 179.630 177.584 -0.082 0.000 1.170 98 A CA 1.257 53.255 52.037 -0.065 0.000 0.636 98 A CB -0.344 18.624 19.000 -0.054 0.000 0.810 98 A HN 0.178 nan 8.150 nan 0.000 0.448 99 L N -0.059 121.111 121.223 -0.089 0.000 2.209 99 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 99 L C 2.867 179.639 176.870 -0.163 0.000 1.094 99 L CA 2.376 57.148 54.840 -0.112 0.000 0.790 99 L CB -0.927 41.072 42.059 -0.100 0.000 0.932 99 L HN 0.629 nan 8.230 nan 0.000 0.447 100 T N -4.340 110.122 114.554 -0.153 0.000 2.867 100 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 100 T C 1.976 176.556 174.700 -0.199 0.000 1.057 100 T CA 0.889 62.870 62.100 -0.199 0.000 1.136 100 T CB -0.981 67.793 68.868 -0.156 0.000 0.874 100 T HN 0.291 nan 8.240 nan 0.000 0.466 101 G N 1.088 109.806 108.800 -0.137 0.000 2.432 101 G HA2 0.100 4.060 3.960 -0.000 0.000 0.219 101 G HA3 0.100 4.060 3.960 -0.000 0.000 0.219 101 G C 1.617 176.458 174.900 -0.099 0.000 1.135 101 G CA 0.617 45.653 45.100 -0.106 0.000 0.767 101 G HN 0.654 nan 8.290 nan 0.000 0.550 102 G N 1.068 109.796 108.800 -0.119 0.000 2.404 102 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.215 102 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.215 102 G C 1.738 176.557 174.900 -0.135 0.000 1.174 102 G CA 0.675 45.730 45.100 -0.074 0.000 0.780 102 G HN 0.401 nan 8.290 nan 0.000 0.537 103 I N 1.477 121.848 120.570 -0.331 0.000 2.163 103 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 103 I C 3.283 179.051 176.117 -0.582 0.000 1.085 103 I CA 1.242 62.180 61.300 -0.604 0.000 1.347 103 I CB -0.345 37.125 38.000 -0.883 0.000 1.044 103 I HN 0.271 nan 8.210 nan 0.000 0.408 104 A N -0.215 122.353 122.820 -0.420 0.000 1.969 104 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 104 A C 2.332 179.868 177.584 -0.080 0.000 1.169 104 A CA 1.547 53.401 52.037 -0.306 0.000 0.635 104 A CB -1.002 17.873 19.000 -0.209 0.000 0.810 104 A HN 0.553 nan 8.150 nan 0.000 0.445 105 H N 0.136 119.139 119.070 -0.111 0.000 2.389 105 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 105 H C 1.782 177.120 175.328 0.015 0.000 1.081 105 H CA 1.535 57.563 56.048 -0.033 0.000 1.345 105 H CB -0.143 29.595 29.762 -0.040 0.000 1.393 105 H HN 0.418 nan 8.280 nan 0.000 0.520 106 L N -0.115 121.039 121.223 -0.114 0.000 2.131 106 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 106 L C 2.581 179.526 176.870 0.124 0.000 1.092 106 L CA 0.636 55.443 54.840 -0.054 0.000 0.759 106 L CB -0.589 41.510 42.059 0.067 0.000 0.903 106 L HN 0.174 nan 8.230 nan 0.000 0.435 107 F N 1.112 121.004 119.950 -0.097 0.000 2.075 107 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 107 F C 2.540 178.295 175.800 -0.074 0.000 1.113 107 F CA 1.236 59.200 58.000 -0.060 0.000 1.218 107 F CB -0.798 38.164 39.000 -0.063 0.000 0.984 107 F HN -0.045 nan 8.300 nan 0.000 0.472 108 K N -0.103 120.357 120.400 0.101 0.000 2.074 108 K HA -0.278 4.042 4.320 -0.000 0.000 0.209 108 K C 2.061 178.632 176.600 -0.048 0.000 1.048 108 K CA 1.828 58.124 56.287 0.014 0.000 0.926 108 K CB -0.407 32.093 32.500 0.000 0.000 0.713 108 K HN 0.290 nan 8.250 nan 0.000 0.444 109 Q N 0.875 120.589 119.800 -0.144 0.000 2.170 109 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 109 Q C 0.638 176.611 176.000 -0.044 0.000 0.976 109 Q CA 1.764 57.489 55.803 -0.130 0.000 0.858 109 Q CB 0.097 28.703 28.738 -0.221 0.000 0.907 109 Q HN 0.309 nan 8.270 nan 0.000 0.433 110 N N -0.268 118.423 118.700 -0.014 0.000 2.230 110 N HA 0.056 4.796 4.740 -0.000 0.000 0.202 110 N C -0.931 174.565 175.510 -0.023 0.000 1.119 110 N CA 0.032 53.078 53.050 -0.007 0.000 0.851 110 N CB 0.766 39.261 38.487 0.014 0.000 0.990 110 N HN 0.071 nan 8.380 nan 0.000 0.497 111 K N -1.245 119.142 120.400 -0.023 0.000 3.230 111 K HA -0.140 4.180 4.320 -0.000 0.000 0.285 111 K C -0.694 175.874 176.600 -0.053 0.000 1.196 111 K CA 0.208 56.480 56.287 -0.024 0.000 0.838 111 K CB -2.594 29.896 32.500 -0.016 0.000 1.262 111 K HN 0.061 nan 8.250 nan 0.000 0.492 112 V N 1.920 121.769 119.914 -0.109 0.000 2.529 112 V HA 0.010 4.130 4.120 -0.000 0.000 0.292 112 V C 1.045 177.042 176.094 -0.161 0.000 1.028 112 V CA -0.261 61.891 62.300 -0.247 0.000 1.074 112 V CB 1.386 32.838 31.823 -0.618 0.000 0.958 112 V HN 0.100 nan 8.190 nan 0.000 0.481 113 V N 6.175 126.021 119.914 -0.112 0.000 2.432 113 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 113 V C 0.331 176.450 176.094 0.042 0.000 1.046 113 V CA -0.400 61.890 62.300 -0.017 0.000 0.945 113 V CB 0.639 32.453 31.823 -0.014 0.000 0.992 113 V HN 0.874 nan 8.190 nan 0.000 0.471 114 H N 4.487 123.567 119.070 0.017 0.000 2.488 114 H HA 0.610 5.166 4.556 -0.000 0.000 0.322 114 H C -1.389 173.978 175.328 0.064 0.000 1.078 114 H CA -0.640 55.459 56.048 0.087 0.000 1.260 114 H CB 1.728 31.604 29.762 0.190 0.000 1.425 114 H HN 0.471 nan 8.280 nan 0.000 0.471 115 V N 6.051 125.807 119.914 -0.264 0.000 2.448 115 V HA 0.077 4.197 4.120 -0.000 0.000 0.295 115 V C 0.301 176.169 176.094 -0.377 0.000 1.025 115 V CA -0.956 61.171 62.300 -0.290 0.000 0.859 115 V CB 1.487 33.255 31.823 -0.093 0.000 0.988 115 V HN 0.813 nan 8.190 nan 0.000 0.431 116 N N 3.427 121.921 118.700 -0.344 0.000 2.482 116 N HA 0.529 5.269 4.740 -0.000 0.000 0.242 116 N C -0.036 175.440 175.510 -0.058 0.000 1.100 116 N CA 0.204 53.142 53.050 -0.187 0.000 0.946 116 N CB 0.741 39.155 38.487 -0.122 0.000 1.227 116 N HN 0.975 nan 8.380 nan 0.000 0.508 117 G N 1.709 110.503 108.800 -0.010 0.000 2.559 117 G HA2 0.131 4.090 3.960 -0.000 0.000 0.291 117 G HA3 0.131 4.090 3.960 -0.000 0.000 0.291 117 G C -2.208 172.750 174.900 0.095 0.000 1.424 117 G CA -0.534 44.596 45.100 0.050 0.000 0.786 117 G HN 0.361 nan 8.290 nan 0.000 0.485 118 Y N 1.582 121.902 120.300 0.033 0.000 2.486 118 Y HA 0.510 5.060 4.550 -0.000 0.000 0.348 118 Y C 0.933 176.857 175.900 0.041 0.000 1.000 118 Y CA -0.374 57.757 58.100 0.051 0.000 1.253 118 Y CB 0.676 39.168 38.460 0.053 0.000 1.140 118 Y HN 0.610 nan 8.280 nan 0.000 0.526 119 G N 5.102 114.101 108.800 0.332 0.000 2.370 119 G HA2 0.388 4.348 3.960 -0.000 0.000 0.272 119 G HA3 0.388 4.348 3.960 -0.000 0.000 0.272 119 G C -1.062 173.960 174.900 0.203 0.000 1.208 119 G CA -0.646 44.579 45.100 0.208 0.000 0.856 119 G HN 0.553 nan 8.290 nan 0.000 0.500 120 K N 2.408 122.867 120.400 0.098 0.000 2.397 120 K HA 0.460 4.780 4.320 -0.000 0.000 0.253 120 K C -0.438 176.180 176.600 0.030 0.000 0.932 120 K CA -0.753 55.558 56.287 0.041 0.000 0.795 120 K CB 1.187 33.679 32.500 -0.013 0.000 1.159 120 K HN 0.315 nan 8.250 nan 0.000 0.424 121 I N 5.157 125.741 120.570 0.023 0.000 2.389 121 I HA 0.034 4.204 4.170 -0.000 0.000 0.295 121 I C 0.868 176.989 176.117 0.007 0.000 1.117 121 I CA -0.007 61.304 61.300 0.018 0.000 1.317 121 I CB 0.795 38.806 38.000 0.017 0.000 1.431 121 I HN 0.855 nan 8.210 nan 0.000 0.521 122 T N 1.206 115.764 114.554 0.007 0.000 3.129 122 T HA 0.313 4.663 4.350 -0.000 0.000 0.251 122 T C 0.687 175.387 174.700 0.001 0.000 1.117 122 T CA -0.044 62.056 62.100 0.000 0.000 1.034 122 T CB 0.214 69.082 68.868 -0.000 0.000 0.968 122 T HN 0.676 nan 8.240 nan 0.000 0.526 123 G N 0.155 108.958 108.800 0.005 0.000 2.616 123 G HA2 0.400 4.360 3.960 -0.000 0.000 0.294 123 G HA3 0.400 4.360 3.960 -0.000 0.000 0.294 123 G C -0.056 174.848 174.900 0.008 0.000 1.489 123 G CA -0.969 44.133 45.100 0.004 0.000 0.836 123 G HN -0.030 nan 8.290 nan 0.000 0.527 124 K N -0.190 120.214 120.400 0.006 0.000 2.259 124 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 124 K C 1.042 177.652 176.600 0.016 0.000 1.044 124 K CA 2.154 58.446 56.287 0.009 0.000 0.931 124 K CB -0.024 32.479 32.500 0.006 0.000 0.726 124 K HN 0.442 nan 8.250 nan 0.000 0.467 125 N N -0.298 118.411 118.700 0.016 0.000 2.377 125 N HA 0.026 4.766 4.740 -0.000 0.000 0.259 125 N C -1.209 174.311 175.510 0.018 0.000 1.332 125 N CA -0.296 52.767 53.050 0.020 0.000 0.877 125 N CB 0.892 39.391 38.487 0.021 0.000 1.299 125 N HN 0.185 nan 8.380 nan 0.000 0.501 126 Q N -0.557 119.252 119.800 0.016 0.000 2.416 126 Q HA 0.646 4.986 4.340 -0.000 0.000 0.281 126 Q C -1.867 174.143 176.000 0.017 0.000 1.067 126 Q CA -0.822 54.990 55.803 0.015 0.000 0.809 126 Q CB 1.979 30.724 28.738 0.012 0.000 1.418 126 Q HN -0.127 nan 8.270 nan 0.000 0.411 127 V N 1.461 121.386 119.914 0.018 0.000 2.638 127 V HA 0.529 4.649 4.120 -0.000 0.000 0.306 127 V C -0.750 175.358 176.094 0.024 0.000 1.052 127 V CA -0.593 61.722 62.300 0.024 0.000 0.885 127 V CB 2.079 33.920 31.823 0.030 0.000 0.999 127 V HN 0.924 nan 8.190 nan 0.000 0.424 128 T N 4.012 118.582 114.554 0.027 0.000 2.770 128 T HA 0.674 5.024 4.350 -0.000 0.000 0.283 128 T C 0.069 174.793 174.700 0.042 0.000 0.988 128 T CA -0.167 61.948 62.100 0.025 0.000 0.957 128 T CB 1.386 70.262 68.868 0.014 0.000 0.930 128 T HN 0.966 nan 8.240 nan 0.000 0.443 129 A N 3.272 126.117 122.820 0.042 0.000 2.309 129 A HA 0.662 4.982 4.320 -0.000 0.000 0.298 129 A C 0.322 177.940 177.584 0.056 0.000 1.165 129 A CA -0.507 51.567 52.037 0.063 0.000 0.821 129 A CB 0.389 19.413 19.000 0.041 0.000 1.102 129 A HN 0.684 nan 8.150 nan 0.000 0.500 130 T N 3.718 118.324 114.554 0.086 0.000 2.791 130 T HA 0.283 4.633 4.350 -0.000 0.000 0.288 130 T C 0.061 174.809 174.700 0.080 0.000 0.999 130 T CA -0.598 61.542 62.100 0.065 0.000 0.952 130 T CB 0.750 69.649 68.868 0.051 0.000 0.938 130 T HN 0.575 nan 8.240 nan 0.000 0.444 131 K N 1.790 122.219 120.400 0.047 0.000 2.219 131 K HA 0.449 4.769 4.320 -0.000 0.000 0.258 131 K C 1.497 178.125 176.600 0.045 0.000 1.008 131 K CA -0.251 56.059 56.287 0.038 0.000 0.928 131 K CB 0.813 33.323 32.500 0.017 0.000 0.983 131 K HN 0.617 nan 8.250 nan 0.000 0.484 132 A N 3.039 125.884 122.820 0.042 0.000 1.881 132 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 132 A C 1.576 179.180 177.584 0.032 0.000 1.215 132 A CA 2.807 54.869 52.037 0.041 0.000 0.648 132 A CB -1.051 17.968 19.000 0.031 0.000 0.832 132 A HN 0.903 nan 8.150 nan 0.000 0.455 133 D N -3.050 117.363 120.400 0.023 0.000 2.178 133 D HA 0.247 4.887 4.640 -0.000 0.000 0.201 133 D C 1.275 177.585 176.300 0.016 0.000 0.980 133 D CA 1.838 55.848 54.000 0.017 0.000 0.842 133 D CB -0.225 40.583 40.800 0.013 0.000 0.948 133 D HN 0.900 nan 8.370 nan 0.000 0.472 134 G N -1.076 107.734 108.800 0.018 0.000 2.738 134 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.195 134 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.195 134 G C 0.671 175.578 174.900 0.012 0.000 1.001 134 G CA -0.194 44.914 45.100 0.014 0.000 0.759 134 G HN 0.657 nan 8.290 nan 0.000 0.494 135 G N 0.862 109.669 108.800 0.012 0.000 2.484 135 G HA2 0.528 4.488 3.960 -0.000 0.000 0.235 135 G HA3 0.528 4.488 3.960 -0.000 0.000 0.235 135 G C 0.459 175.366 174.900 0.012 0.000 1.282 135 G CA 1.392 46.498 45.100 0.009 0.000 0.857 135 G HN 1.352 nan 8.290 nan 0.000 0.571 136 T N -0.989 113.571 114.554 0.009 0.000 2.924 136 T HA 0.647 4.997 4.350 -0.000 0.000 0.291 136 T C -0.677 174.027 174.700 0.008 0.000 1.045 136 T CA -0.913 61.194 62.100 0.011 0.000 1.015 136 T CB 2.435 71.308 68.868 0.008 0.000 1.103 136 T HN 0.362 nan 8.240 nan 0.000 0.496 137 Q N 2.024 121.829 119.800 0.009 0.000 2.337 137 Q HA 0.419 4.759 4.340 -0.000 0.000 0.264 137 Q C -1.046 174.959 176.000 0.009 0.000 1.007 137 Q CA -0.494 55.312 55.803 0.005 0.000 0.727 137 Q CB 1.776 30.513 28.738 -0.001 0.000 1.256 137 Q HN 0.760 nan 8.270 nan 0.000 0.467 138 V N 4.960 124.879 119.914 0.007 0.000 2.614 138 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 138 V C 0.567 176.666 176.094 0.008 0.000 1.049 138 V CA -0.076 62.228 62.300 0.008 0.000 1.038 138 V CB 0.886 32.713 31.823 0.007 0.000 0.980 138 V HN 0.528 nan 8.190 nan 0.000 0.481 139 I N 3.485 124.061 120.570 0.010 0.000 2.439 139 I HA 0.398 4.568 4.170 -0.000 0.000 0.285 139 I C -0.867 175.256 176.117 0.011 0.000 1.021 139 I CA -0.547 60.759 61.300 0.009 0.000 1.091 139 I CB 1.848 39.853 38.000 0.009 0.000 1.242 139 I HN 0.525 nan 8.210 nan 0.000 0.439 140 D N 4.681 125.088 120.400 0.011 0.000 2.280 140 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 140 D C 0.017 176.326 176.300 0.015 0.000 1.129 140 D CA 0.235 54.242 54.000 0.013 0.000 0.848 140 D CB 2.492 43.300 40.800 0.013 0.000 1.107 140 D HN 0.461 nan 8.370 nan 0.000 0.471 141 T N 0.621 115.185 114.554 0.018 0.000 2.909 141 T HA 0.223 4.573 4.350 -0.000 0.000 0.299 141 T C 0.784 175.500 174.700 0.027 0.000 1.073 141 T CA -0.655 61.456 62.100 0.019 0.000 0.999 141 T CB 1.866 70.740 68.868 0.011 0.000 1.098 141 T HN 0.136 nan 8.240 nan 0.000 0.477 142 K N 1.790 122.211 120.400 0.034 0.000 2.044 142 K HA 0.171 4.491 4.320 -0.000 0.000 0.204 142 K C 0.619 177.250 176.600 0.052 0.000 1.049 142 K CA 0.787 57.102 56.287 0.047 0.000 0.945 142 K CB 0.107 32.647 32.500 0.066 0.000 0.724 142 K HN 0.528 nan 8.250 nan 0.000 0.440 143 N N 0.607 119.324 118.700 0.028 0.000 2.314 143 N HA 0.328 5.068 4.740 -0.000 0.000 0.304 143 N C -0.979 174.542 175.510 0.020 0.000 1.073 143 N CA -0.397 52.679 53.050 0.043 0.000 0.822 143 N CB 2.325 40.788 38.487 -0.040 0.000 1.280 143 N HN -0.062 nan 8.380 nan 0.000 0.489 144 I N 1.798 122.417 120.570 0.082 0.000 2.433 144 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 144 I C -0.406 175.767 176.117 0.093 0.000 1.001 144 I CA -0.620 60.715 61.300 0.059 0.000 1.119 144 I CB 2.226 40.263 38.000 0.061 0.000 1.289 144 I HN 0.254 nan 8.210 nan 0.000 0.438 145 L N 7.545 128.786 121.223 0.030 0.000 2.318 145 L HA 0.537 4.877 4.340 -0.000 0.000 0.277 145 L C -0.512 176.380 176.870 0.037 0.000 1.008 145 L CA -0.663 54.194 54.840 0.028 0.000 0.846 145 L CB 1.119 43.129 42.059 -0.082 0.000 1.220 145 L HN 0.563 nan 8.230 nan 0.000 0.423 146 I N 4.873 125.483 120.570 0.067 0.000 2.436 146 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 146 I C 0.697 176.841 176.117 0.044 0.000 1.083 146 I CA 0.226 61.560 61.300 0.057 0.000 1.372 146 I CB 1.120 39.157 38.000 0.061 0.000 1.408 146 I HN 0.685 nan 8.210 nan 0.000 0.516 147 A N 4.030 126.877 122.820 0.046 0.000 3.355 147 A HA 0.312 4.632 4.320 -0.000 0.000 0.290 147 A C 0.764 178.389 177.584 0.068 0.000 0.973 147 A CA -0.436 51.624 52.037 0.038 0.000 0.933 147 A CB -0.259 18.754 19.000 0.022 0.000 1.138 147 A HN 0.751 nan 8.150 nan 0.000 0.490 148 T N -2.701 111.908 114.554 0.091 0.000 3.107 148 T HA 0.454 4.804 4.350 -0.000 0.000 0.249 148 T C 1.322 176.140 174.700 0.197 0.000 1.096 148 T CA 0.855 63.050 62.100 0.158 0.000 1.012 148 T CB -0.165 68.808 68.868 0.175 0.000 0.977 148 T HN 1.977 nan 8.240 nan 0.000 0.527 149 G N 1.996 110.866 108.800 0.118 0.000 2.564 149 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.273 149 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.273 149 G C -0.032 174.949 174.900 0.135 0.000 1.242 149 G CA 0.150 45.305 45.100 0.093 0.000 0.951 149 G HN 1.560 nan 8.290 nan 0.000 0.564 150 S N -0.782 114.969 115.700 0.085 0.000 2.697 150 S HA 0.841 5.311 4.470 -0.000 0.000 0.289 150 S C -0.641 173.975 174.600 0.026 0.000 1.149 150 S CA 0.288 58.544 58.200 0.092 0.000 0.850 150 S CB 2.506 65.734 63.200 0.046 0.000 1.151 150 S HN 1.615 nan 8.310 nan 0.000 0.491 151 E N -0.576 119.648 120.200 0.041 0.000 2.456 151 E HA 0.634 4.984 4.350 -0.000 0.000 0.276 151 E C -1.374 175.234 176.600 0.014 0.000 0.981 151 E CA -1.406 54.986 56.400 -0.014 0.000 0.814 151 E CB 1.198 30.892 29.700 -0.009 0.000 1.382 151 E HN 0.392 nan 8.360 nan 0.000 0.459 152 V N 1.601 121.518 119.914 0.004 0.000 2.485 152 V HA 0.050 4.170 4.120 -0.000 0.000 0.287 152 V C 0.187 176.299 176.094 0.029 0.000 1.022 152 V CA -0.030 62.280 62.300 0.018 0.000 1.067 152 V CB 0.455 32.289 31.823 0.018 0.000 0.967 152 V HN 0.676 nan 8.190 nan 0.000 0.479 153 T N 8.978 123.547 114.554 0.024 0.000 2.793 153 T HA 0.140 4.490 4.350 -0.000 0.000 0.289 153 T C -1.842 172.874 174.700 0.027 0.000 0.956 153 T CA -0.326 61.784 62.100 0.016 0.000 1.177 153 T CB 0.268 69.131 68.868 -0.008 0.000 0.897 153 T HN 0.600 nan 8.240 nan 0.000 0.533 154 P HA 0.283 nan 4.420 nan 0.000 0.274 154 P C -0.695 176.654 177.300 0.080 0.000 1.246 154 P CA -0.723 62.417 63.100 0.068 0.000 0.795 154 P CB 0.523 32.259 31.700 0.060 0.000 1.006 155 F N 2.340 122.289 119.950 -0.001 0.000 2.405 155 F HA 0.398 4.925 4.527 -0.000 0.000 0.355 155 F C -2.144 173.664 175.800 0.015 0.000 1.121 155 F CA -2.910 55.091 58.000 0.002 0.000 1.112 155 F CB 0.663 39.667 39.000 0.007 0.000 1.126 155 F HN 0.119 nan 8.300 nan 0.000 0.481 156 P HA 0.311 nan 4.420 nan 0.000 0.264 156 P C 0.374 177.858 177.300 0.306 0.000 1.229 156 P CA 0.864 64.019 63.100 0.091 0.000 0.780 156 P CB 0.567 32.227 31.700 -0.067 0.000 0.808 157 G N 3.599 112.548 108.800 0.247 0.000 2.992 157 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.229 157 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.229 157 G C -0.216 174.767 174.900 0.138 0.000 1.969 157 G CA -0.564 44.657 45.100 0.202 0.000 1.603 157 G HN 0.452 nan 8.290 nan 0.000 0.573 158 I N 3.179 123.813 120.570 0.107 0.000 2.996 158 I HA 0.230 4.400 4.170 -0.000 0.000 0.310 158 I C 0.549 176.701 176.117 0.059 0.000 1.225 158 I CA 1.314 62.617 61.300 0.004 0.000 1.442 158 I CB 0.477 38.377 38.000 -0.166 0.000 1.334 158 I HN 0.282 nan 8.210 nan 0.000 0.550 159 T N 7.737 122.307 114.554 0.026 0.000 2.821 159 T HA 0.507 4.857 4.350 -0.000 0.000 0.307 159 T C 0.304 175.013 174.700 0.015 0.000 1.034 159 T CA -0.510 61.609 62.100 0.033 0.000 0.953 159 T CB 0.196 69.078 68.868 0.024 0.000 0.968 159 T HN 0.239 nan 8.240 nan 0.000 0.462 160 I N 4.022 124.605 120.570 0.023 0.000 2.752 160 I HA -0.010 4.160 4.170 -0.000 0.000 0.289 160 I C 1.218 177.336 176.117 0.001 0.000 1.197 160 I CA 0.563 61.868 61.300 0.008 0.000 1.432 160 I CB 0.600 38.611 38.000 0.018 0.000 1.359 160 I HN 0.730 nan 8.210 nan 0.000 0.571 161 D N 4.353 124.746 120.400 -0.012 0.000 2.520 161 D HA 0.009 4.649 4.640 -0.000 0.000 0.223 161 D C 0.693 176.982 176.300 -0.019 0.000 1.186 161 D CA -0.068 53.924 54.000 -0.013 0.000 0.821 161 D CB 0.213 41.003 40.800 -0.016 0.000 1.072 161 D HN 0.487 nan 8.370 nan 0.000 0.518 162 E N -0.038 120.148 120.200 -0.023 0.000 3.170 162 E HA -0.179 4.171 4.350 -0.000 0.000 0.284 162 E C 0.124 176.701 176.600 -0.039 0.000 0.967 162 E CA 1.260 57.644 56.400 -0.028 0.000 0.919 162 E CB -0.987 28.701 29.700 -0.019 0.000 1.469 162 E HN 0.482 nan 8.360 nan 0.000 0.444 163 D N -2.601 117.772 120.400 -0.045 0.000 3.013 163 D HA 0.147 4.787 4.640 -0.000 0.000 0.256 163 D C 1.771 178.025 176.300 -0.076 0.000 1.573 163 D CA 1.499 55.465 54.000 -0.056 0.000 1.197 163 D CB -0.570 40.202 40.800 -0.046 0.000 1.041 163 D HN 0.274 nan 8.370 nan 0.000 0.304 164 T N -0.555 113.956 114.554 -0.070 0.000 3.009 164 T HA 0.210 4.560 4.350 -0.000 0.000 0.258 164 T C 1.294 175.944 174.700 -0.083 0.000 1.063 164 T CA 0.271 62.322 62.100 -0.083 0.000 1.139 164 T CB 0.227 69.053 68.868 -0.070 0.000 0.890 164 T HN -0.022 nan 8.240 nan 0.000 0.471 165 I N 3.464 123.996 120.570 -0.065 0.000 2.328 165 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 165 I C -0.397 175.691 176.117 -0.048 0.000 1.012 165 I CA -1.149 60.116 61.300 -0.059 0.000 1.195 165 I CB 1.608 39.579 38.000 -0.050 0.000 1.350 165 I HN 0.098 nan 8.210 nan 0.000 0.464 166 V N 2.503 122.387 119.914 -0.051 0.000 3.046 166 V HA 0.781 4.901 4.120 -0.000 0.000 0.316 166 V C 0.166 176.252 176.094 -0.013 0.000 1.104 166 V CA -0.503 61.775 62.300 -0.037 0.000 1.006 166 V CB 1.577 33.366 31.823 -0.057 0.000 1.058 166 V HN 0.720 nan 8.190 nan 0.000 0.440 167 S N 1.240 116.941 115.700 0.001 0.000 2.561 167 S HA 0.382 4.852 4.470 -0.000 0.000 0.282 167 S C 1.388 176.005 174.600 0.028 0.000 1.123 167 S CA 0.192 58.403 58.200 0.018 0.000 1.011 167 S CB 0.735 63.946 63.200 0.018 0.000 1.244 167 S HN 1.594 nan 8.310 nan 0.000 0.503 168 S N 0.023 115.744 115.700 0.037 0.000 2.414 168 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 168 S C 1.911 176.540 174.600 0.047 0.000 1.022 168 S CA 1.287 59.519 58.200 0.053 0.000 0.958 168 S CB -1.399 61.830 63.200 0.049 0.000 0.797 168 S HN 0.917 nan 8.310 nan 0.000 0.493 169 T N 0.979 115.548 114.554 0.025 0.000 2.995 169 T HA 0.110 4.460 4.350 -0.000 0.000 0.269 169 T C 1.806 176.520 174.700 0.023 0.000 1.091 169 T CA 1.389 63.500 62.100 0.018 0.000 1.128 169 T CB -0.895 67.972 68.868 -0.003 0.000 0.891 169 T HN 0.495 nan 8.240 nan 0.000 0.492 170 G N 0.580 109.390 108.800 0.017 0.000 2.394 170 G HA2 0.124 4.084 3.960 -0.000 0.000 0.214 170 G HA3 0.124 4.084 3.960 -0.000 0.000 0.214 170 G C 1.854 176.763 174.900 0.014 0.000 1.176 170 G CA 0.603 45.703 45.100 0.001 0.000 0.786 170 G HN 0.651 nan 8.290 nan 0.000 0.533 171 A N 0.106 122.952 122.820 0.043 0.000 2.168 171 A HA 0.295 4.615 4.320 -0.000 0.000 0.215 171 A C 2.179 179.943 177.584 0.300 0.000 1.152 171 A CA 0.487 52.588 52.037 0.107 0.000 0.716 171 A CB -0.239 18.842 19.000 0.135 0.000 0.794 171 A HN 0.344 nan 8.150 nan 0.000 0.465 172 L N -0.805 120.530 121.223 0.186 0.000 2.552 172 L HA 0.027 4.367 4.340 -0.000 0.000 0.227 172 L C 1.315 178.287 176.870 0.170 0.000 1.146 172 L CA 0.785 55.726 54.840 0.169 0.000 0.858 172 L CB 0.203 42.309 42.059 0.077 0.000 0.969 172 L HN 0.253 nan 8.230 nan 0.000 0.451 173 S N -1.067 114.727 115.700 0.157 0.000 2.847 173 S HA 0.234 4.704 4.470 -0.000 0.000 0.254 173 S C 0.250 174.902 174.600 0.087 0.000 1.039 173 S CA -0.561 57.703 58.200 0.107 0.000 1.113 173 S CB 0.465 63.693 63.200 0.046 0.000 1.092 173 S HN -0.047 nan 8.310 nan 0.000 0.620 174 L N 2.595 123.862 121.223 0.073 0.000 2.586 174 L HA -0.016 4.324 4.340 -0.000 0.000 0.307 174 L C 1.171 178.035 176.870 -0.009 0.000 1.274 174 L CA 1.215 55.990 54.840 -0.110 0.000 0.857 174 L CB 0.132 41.862 42.059 -0.549 0.000 1.099 174 L HN 0.139 nan 8.230 nan 0.000 0.525 175 K N 1.761 122.125 120.400 -0.061 0.000 2.372 175 K HA 0.145 4.465 4.320 -0.000 0.000 0.200 175 K C -0.455 176.134 176.600 -0.018 0.000 1.022 175 K CA 0.085 56.362 56.287 -0.016 0.000 1.125 175 K CB 0.225 32.710 32.500 -0.025 0.000 0.855 175 K HN 0.629 nan 8.250 nan 0.000 0.524 176 K N -1.906 118.461 120.400 -0.056 0.000 2.660 176 K HA 0.189 4.509 4.320 -0.000 0.000 0.285 176 K C -0.985 175.564 176.600 -0.084 0.000 0.997 176 K CA -0.951 55.319 56.287 -0.029 0.000 0.861 176 K CB 1.012 33.484 32.500 -0.047 0.000 1.469 176 K HN -0.284 nan 8.250 nan 0.000 0.395 177 V N 2.840 122.763 119.914 0.016 0.000 2.485 177 V HA 0.137 4.257 4.120 -0.000 0.000 0.287 177 V C -1.654 174.374 176.094 -0.110 0.000 1.022 177 V CA -0.730 61.580 62.300 0.018 0.000 1.067 177 V CB -0.083 31.803 31.823 0.105 0.000 0.967 177 V HN 0.709 nan 8.190 nan 0.000 0.479 178 P HA 0.140 nan 4.420 nan 0.000 0.271 178 P C 0.597 177.830 177.300 -0.111 0.000 1.216 178 P CA -0.148 62.837 63.100 -0.192 0.000 0.771 178 P CB 1.372 32.902 31.700 -0.284 0.000 0.864 179 E N 1.854 122.001 120.200 -0.087 0.000 2.047 179 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 179 E C 0.435 176.995 176.600 -0.067 0.000 0.987 179 E CA 1.187 57.551 56.400 -0.060 0.000 0.799 179 E CB 0.244 29.915 29.700 -0.049 0.000 0.752 179 E HN 0.382 nan 8.360 nan 0.000 0.449 180 K N -0.120 120.231 120.400 -0.082 0.000 2.328 180 K HA 0.455 4.775 4.320 -0.000 0.000 0.246 180 K C -1.082 175.450 176.600 -0.112 0.000 0.955 180 K CA -0.565 55.670 56.287 -0.087 0.000 0.817 180 K CB 1.748 34.206 32.500 -0.071 0.000 1.208 180 K HN -0.042 nan 8.250 nan 0.000 0.432 181 M N 3.626 123.157 119.600 -0.116 0.000 2.322 181 M HA 0.320 4.800 4.480 -0.000 0.000 0.285 181 M C -2.009 174.231 176.300 -0.099 0.000 1.119 181 M CA -0.824 54.401 55.300 -0.126 0.000 0.953 181 M CB 1.841 34.345 32.600 -0.160 0.000 1.701 181 M HN 0.415 nan 8.290 nan 0.000 0.479 182 V N 4.873 124.741 119.914 -0.076 0.000 2.555 182 V HA 0.820 4.940 4.120 -0.000 0.000 0.302 182 V C -1.669 174.415 176.094 -0.016 0.000 1.038 182 V CA -0.324 61.950 62.300 -0.043 0.000 0.887 182 V CB 1.994 33.797 31.823 -0.032 0.000 0.991 182 V HN 0.728 nan 8.190 nan 0.000 0.434 183 V N 7.570 127.503 119.914 0.032 0.000 2.370 183 V HA 0.462 4.582 4.120 -0.000 0.000 0.283 183 V C 0.272 176.426 176.094 0.099 0.000 1.023 183 V CA -0.442 61.904 62.300 0.076 0.000 0.857 183 V CB 1.496 33.407 31.823 0.146 0.000 0.985 183 V HN 0.814 nan 8.190 nan 0.000 0.443 184 I N 5.134 125.753 120.570 0.083 0.000 2.294 184 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 184 I C 0.816 177.009 176.117 0.126 0.000 1.098 184 I CA 0.291 61.663 61.300 0.119 0.000 1.277 184 I CB 0.513 38.563 38.000 0.083 0.000 1.434 184 I HN 0.884 nan 8.210 nan 0.000 0.498 185 G N 4.430 113.321 108.800 0.150 0.000 3.313 185 G HA2 0.120 4.080 3.960 -0.000 0.000 0.659 185 G HA3 0.120 4.080 3.960 -0.000 0.000 0.659 185 G C -0.303 174.684 174.900 0.146 0.000 1.286 185 G CA -0.419 44.748 45.100 0.112 0.000 1.077 185 G HN 0.787 nan 8.290 nan 0.000 0.551 186 A N 1.660 124.567 122.820 0.143 0.000 2.929 186 A HA 0.712 5.032 4.320 -0.000 0.000 0.279 186 A C 1.473 179.127 177.584 0.116 0.000 1.418 186 A CA 1.109 53.239 52.037 0.155 0.000 1.035 186 A CB -0.413 18.667 19.000 0.133 0.000 1.047 186 A HN 1.999 nan 8.150 nan 0.000 0.609 187 G N -1.173 107.697 108.800 0.116 0.000 2.553 187 G HA2 0.328 4.288 3.960 -0.000 0.000 0.278 187 G HA3 0.328 4.288 3.960 -0.000 0.000 0.278 187 G C 1.150 176.152 174.900 0.170 0.000 1.349 187 G CA 0.158 45.335 45.100 0.130 0.000 1.037 187 G HN 0.201 nan 8.290 nan 0.000 0.508 188 V N 0.027 120.049 119.914 0.180 0.000 2.317 188 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 188 V C 2.740 178.939 176.094 0.174 0.000 1.065 188 V CA 1.879 64.295 62.300 0.194 0.000 1.049 188 V CB -0.694 31.235 31.823 0.176 0.000 0.651 188 V HN 0.555 nan 8.190 nan 0.000 0.450 189 I N 0.043 120.697 120.570 0.141 0.000 2.193 189 I HA -0.092 4.078 4.170 -0.000 0.000 0.240 189 I C 2.607 178.815 176.117 0.152 0.000 1.084 189 I CA 1.525 62.901 61.300 0.127 0.000 1.365 189 I CB -0.928 37.129 38.000 0.095 0.000 1.064 189 I HN 0.394 nan 8.210 nan 0.000 0.410 190 G N 1.133 110.027 108.800 0.156 0.000 2.511 190 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 190 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 190 G C 1.764 176.815 174.900 0.251 0.000 1.218 190 G CA 1.755 46.969 45.100 0.191 0.000 0.788 190 G HN 0.360 nan 8.290 nan 0.000 0.560 191 V N -0.870 119.184 119.914 0.233 0.000 2.282 191 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 191 V C 2.312 178.582 176.094 0.293 0.000 1.057 191 V CA 2.708 65.135 62.300 0.212 0.000 1.032 191 V CB -0.981 30.945 31.823 0.171 0.000 0.645 191 V HN 0.488 nan 8.190 nan 0.000 0.447 192 E N 0.297 120.649 120.200 0.253 0.000 2.012 192 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 192 E C 2.186 178.908 176.600 0.203 0.000 1.007 192 E CA 1.830 58.362 56.400 0.221 0.000 0.816 192 E CB -0.314 29.494 29.700 0.179 0.000 0.762 192 E HN 0.494 nan 8.360 nan 0.000 0.451 193 L N 0.399 121.742 121.223 0.199 0.000 2.046 193 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 193 L C 2.447 179.479 176.870 0.269 0.000 1.077 193 L CA 1.927 56.888 54.840 0.202 0.000 0.747 193 L CB -1.121 41.071 42.059 0.221 0.000 0.896 193 L HN 0.209 nan 8.230 nan 0.000 0.432 194 G N -2.155 106.836 108.800 0.319 0.000 2.450 194 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 194 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 194 G C 1.882 176.838 174.900 0.093 0.000 1.130 194 G CA 1.148 46.395 45.100 0.245 0.000 0.760 194 G HN 0.411 nan 8.290 nan 0.000 0.557 195 S N -0.836 115.058 115.700 0.323 0.000 2.436 195 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 195 S C 2.492 177.097 174.600 0.007 0.000 1.014 195 S CA 0.876 59.210 58.200 0.224 0.000 0.950 195 S CB -0.113 63.297 63.200 0.350 0.000 0.784 195 S HN 0.140 nan 8.310 nan 0.000 0.504 196 V N 0.492 120.365 119.914 -0.069 0.000 2.233 196 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 196 V C 1.918 177.757 176.094 -0.424 0.000 1.050 196 V CA 2.098 64.208 62.300 -0.316 0.000 1.010 196 V CB -0.902 30.593 31.823 -0.546 0.000 0.637 196 V HN 0.686 nan 8.190 nan 0.000 0.444 197 W N -0.696 120.555 121.300 -0.081 0.000 2.519 197 W HA -0.063 4.597 4.660 0.000 0.000 0.266 197 W C 2.605 179.036 176.519 -0.148 0.000 1.253 197 W CA 0.810 58.084 57.345 -0.118 0.000 1.274 197 W CB -0.314 29.075 29.460 -0.118 0.000 1.114 197 W HN 0.175 nan 8.180 nan 0.000 0.596 198 Q N 1.338 121.114 119.800 -0.039 0.000 2.050 198 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 198 Q C 1.985 177.946 176.000 -0.066 0.000 0.980 198 Q CA 1.647 57.365 55.803 -0.141 0.000 0.840 198 Q CB -0.224 28.319 28.738 -0.326 0.000 0.898 198 Q HN 0.327 nan 8.270 nan 0.000 0.424 199 R N -0.252 120.208 120.500 -0.066 0.000 2.148 199 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 199 R C 1.986 178.322 176.300 0.059 0.000 1.103 199 R CA 0.569 56.672 56.100 0.005 0.000 0.983 199 R CB -0.090 30.197 30.300 -0.022 0.000 0.874 199 R HN 0.133 nan 8.270 nan 0.000 0.451 200 L N -0.560 120.618 121.223 -0.075 0.000 2.610 200 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 200 L C 1.416 178.252 176.870 -0.056 0.000 1.149 200 L CA 1.484 56.213 54.840 -0.184 0.000 0.872 200 L CB -0.287 41.647 42.059 -0.208 0.000 0.992 200 L HN 0.528 nan 8.230 nan 0.000 0.447 201 G N -2.056 106.753 108.800 0.015 0.000 2.284 201 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.201 201 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.201 201 G C 0.660 175.567 174.900 0.013 0.000 0.998 201 G CA -0.024 45.088 45.100 0.021 0.000 0.651 201 G HN 0.602 nan 8.290 nan 0.000 0.489 202 A N 0.549 123.386 122.820 0.028 0.000 2.507 202 A HA 0.427 4.747 4.320 -0.000 0.000 0.235 202 A C 0.390 177.933 177.584 -0.069 0.000 1.070 202 A CA 0.987 53.014 52.037 -0.017 0.000 0.768 202 A CB 0.223 19.223 19.000 -0.000 0.000 1.011 202 A HN 0.564 nan 8.150 nan 0.000 0.502 203 D N 1.792 122.140 120.400 -0.086 0.000 2.396 203 D HA 0.376 5.016 4.640 -0.000 0.000 0.225 203 D C -0.894 175.310 176.300 -0.160 0.000 1.121 203 D CA -0.051 53.884 54.000 -0.108 0.000 0.853 203 D CB 0.681 41.437 40.800 -0.072 0.000 1.043 203 D HN 0.103 nan 8.370 nan 0.000 0.500 204 V N 3.591 123.344 119.914 -0.268 0.000 2.472 204 V HA 0.388 4.508 4.120 -0.000 0.000 0.290 204 V C 0.475 176.379 176.094 -0.317 0.000 1.037 204 V CA -0.487 61.605 62.300 -0.346 0.000 0.908 204 V CB 1.904 33.356 31.823 -0.619 0.000 0.985 204 V HN 0.550 nan 8.190 nan 0.000 0.454 205 T N 4.401 118.853 114.554 -0.170 0.000 2.864 205 T HA 0.583 4.933 4.350 -0.000 0.000 0.310 205 T C 0.042 174.748 174.700 0.011 0.000 1.040 205 T CA -0.223 61.824 62.100 -0.088 0.000 0.977 205 T CB 1.206 70.043 68.868 -0.052 0.000 0.976 205 T HN 0.888 nan 8.240 nan 0.000 0.459 206 A N 3.403 126.271 122.820 0.081 0.000 2.366 206 A HA 0.638 4.958 4.320 -0.000 0.000 0.272 206 A C 0.126 177.828 177.584 0.196 0.000 1.135 206 A CA -0.468 51.679 52.037 0.184 0.000 0.804 206 A CB 0.270 19.458 19.000 0.313 0.000 1.064 206 A HN 0.677 nan 8.150 nan 0.000 0.499 207 V N 2.769 122.796 119.914 0.188 0.000 2.370 207 V HA 0.461 4.581 4.120 -0.000 0.000 0.279 207 V C -0.072 176.187 176.094 0.274 0.000 1.029 207 V CA -0.487 61.936 62.300 0.205 0.000 0.870 207 V CB 1.076 33.002 31.823 0.172 0.000 0.984 207 V HN 0.937 nan 8.190 nan 0.000 0.451 208 E N 2.696 123.054 120.200 0.263 0.000 2.238 208 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 208 E C -0.211 176.600 176.600 0.351 0.000 0.887 208 E CA -0.806 55.759 56.400 0.276 0.000 0.769 208 E CB 1.501 31.279 29.700 0.131 0.000 1.187 208 E HN 0.332 nan 8.360 nan 0.000 0.416 209 F N 1.815 121.772 119.950 0.013 0.000 2.234 209 F HA 0.089 4.616 4.527 -0.000 0.000 0.296 209 F C 0.983 176.767 175.800 -0.028 0.000 1.089 209 F CA 0.218 58.223 58.000 0.008 0.000 1.343 209 F CB -0.184 38.826 39.000 0.018 0.000 1.040 209 F HN 0.304 nan 8.300 nan 0.000 0.498 210 L N -0.922 120.374 121.223 0.123 0.000 2.543 210 L HA 0.357 4.697 4.340 -0.000 0.000 0.231 210 L C 1.682 178.513 176.870 -0.065 0.000 1.194 210 L CA 0.226 55.053 54.840 -0.021 0.000 0.823 210 L CB -0.315 41.619 42.059 -0.209 0.000 1.374 210 L HN 0.081 nan 8.230 nan 0.000 0.507 211 G N -0.391 108.373 108.800 -0.060 0.000 3.702 211 G HA2 0.231 4.191 3.960 -0.000 0.000 0.288 211 G HA3 0.231 4.191 3.960 -0.000 0.000 0.288 211 G C -0.019 174.884 174.900 0.005 0.000 1.193 211 G CA 0.042 45.132 45.100 -0.017 0.000 0.952 211 G HN 0.744 nan 8.290 nan 0.000 0.544 212 H N -2.765 116.284 119.070 -0.035 0.000 3.064 212 H HA 0.456 5.012 4.556 -0.000 0.000 0.352 212 H C -1.802 173.466 175.328 -0.100 0.000 1.260 212 H CA -0.829 55.170 56.048 -0.082 0.000 1.160 212 H CB 1.163 30.878 29.762 -0.078 0.000 1.879 212 H HN -0.159 nan 8.280 nan 0.000 0.544 213 V N 1.265 121.151 119.914 -0.048 0.000 2.644 213 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 213 V C 0.907 177.089 176.094 0.147 0.000 1.053 213 V CA 1.084 63.320 62.300 -0.107 0.000 0.987 213 V CB 0.878 32.443 31.823 -0.431 0.000 1.006 213 V HN 1.270 nan 8.190 nan 0.000 0.472 214 G N 2.796 111.698 108.800 0.169 0.000 2.497 214 G HA2 0.293 4.253 3.960 -0.000 0.000 0.686 214 G HA3 0.293 4.253 3.960 -0.000 0.000 0.686 214 G C 0.142 175.172 174.900 0.215 0.000 1.288 214 G CA -0.289 44.940 45.100 0.216 0.000 0.899 214 G HN 1.165 nan 8.290 nan 0.000 0.608 215 G N -1.036 107.903 108.800 0.231 0.000 2.519 215 G HA2 0.603 4.563 3.960 -0.000 0.000 0.161 215 G HA3 0.603 4.563 3.960 -0.000 0.000 0.161 215 G C 0.906 175.941 174.900 0.225 0.000 1.671 215 G CA 1.964 47.199 45.100 0.226 0.000 1.028 215 G HN 2.213 nan 8.290 nan 0.000 0.486 216 V N -3.719 116.309 119.914 0.189 0.000 2.630 216 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 216 V C 1.161 177.323 176.094 0.114 0.000 1.046 216 V CA 0.435 62.815 62.300 0.133 0.000 0.934 216 V CB 0.659 32.550 31.823 0.113 0.000 1.003 216 V HN 2.253 nan 8.190 nan 0.000 0.451 217 G N 2.979 111.777 108.800 -0.003 0.000 2.267 217 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 217 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 217 G C 0.251 174.949 174.900 -0.337 0.000 0.998 217 G CA 0.381 45.473 45.100 -0.013 0.000 0.620 217 G HN 1.279 nan 8.290 nan 0.000 0.529 218 I N 1.798 122.020 120.570 -0.579 0.000 2.692 218 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 218 I C 0.611 176.267 176.117 -0.769 0.000 1.159 218 I CA -0.158 60.419 61.300 -1.205 0.000 1.423 218 I CB 0.509 37.921 38.000 -0.979 0.000 1.380 218 I HN 0.257 nan 8.210 nan 0.000 0.580 219 D N 5.809 125.755 120.400 -0.757 0.000 2.414 219 D HA 0.001 4.641 4.640 -0.000 0.000 0.242 219 D C 1.014 177.051 176.300 -0.438 0.000 1.129 219 D CA -0.072 53.571 54.000 -0.595 0.000 0.885 219 D CB 0.961 41.267 40.800 -0.824 0.000 1.198 219 D HN 0.425 nan 8.370 nan 0.000 0.437 220 M N 1.952 121.347 119.600 -0.343 0.000 2.156 220 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 220 M C 1.807 178.000 176.300 -0.178 0.000 1.067 220 M CA 1.305 56.454 55.300 -0.252 0.000 1.131 220 M CB -0.708 31.778 32.600 -0.190 0.000 1.368 220 M HN 0.677 nan 8.290 nan 0.000 0.416 221 E N 0.966 121.064 120.200 -0.170 0.000 2.077 221 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 221 E C 1.939 178.478 176.600 -0.103 0.000 0.989 221 E CA 1.479 57.813 56.400 -0.110 0.000 0.800 221 E CB -0.157 29.487 29.700 -0.092 0.000 0.746 221 E HN 0.602 nan 8.360 nan 0.000 0.452 222 I N -1.217 119.260 120.570 -0.155 0.000 2.394 222 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 222 I C 2.433 178.507 176.117 -0.072 0.000 1.136 222 I CA 1.388 62.626 61.300 -0.104 0.000 1.425 222 I CB -0.420 37.515 38.000 -0.109 0.000 1.079 222 I HN -0.046 nan 8.210 nan 0.000 0.425 223 S N 1.398 117.020 115.700 -0.130 0.000 2.359 223 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 223 S C 2.094 176.710 174.600 0.027 0.000 1.035 223 S CA 1.672 59.851 58.200 -0.035 0.000 1.018 223 S CB -0.340 62.796 63.200 -0.107 0.000 0.876 223 S HN 0.520 nan 8.310 nan 0.000 0.448 224 K N 0.786 121.175 120.400 -0.018 0.000 2.097 224 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 224 K C 1.795 178.402 176.600 0.012 0.000 1.049 224 K CA 1.486 57.763 56.287 -0.017 0.000 0.933 224 K CB -0.591 31.896 32.500 -0.023 0.000 0.717 224 K HN 0.404 nan 8.250 nan 0.000 0.442 225 N N 0.646 119.370 118.700 0.041 0.000 2.216 225 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 225 N C 1.465 177.053 175.510 0.131 0.000 1.017 225 N CA 0.543 53.633 53.050 0.066 0.000 0.861 225 N CB -0.333 38.191 38.487 0.061 0.000 0.986 225 N HN 0.046 nan 8.380 nan 0.000 0.428 226 F N 2.075 121.995 119.950 -0.049 0.000 2.046 226 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 226 F C 2.400 178.158 175.800 -0.070 0.000 1.123 226 F CA 1.560 59.531 58.000 -0.049 0.000 1.199 226 F CB -0.895 38.059 39.000 -0.077 0.000 0.972 226 F HN 0.095 nan 8.300 nan 0.000 0.474 227 Q N 0.070 119.794 119.800 -0.127 0.000 2.096 227 Q HA -0.279 4.061 4.340 -0.000 0.000 0.208 227 Q C 2.396 178.314 176.000 -0.137 0.000 0.993 227 Q CA 2.359 57.965 55.803 -0.328 0.000 0.862 227 Q CB -0.148 28.396 28.738 -0.323 0.000 0.915 227 Q HN 0.434 nan 8.270 nan 0.000 0.416 228 R N -0.111 120.365 120.500 -0.039 0.000 2.083 228 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 228 R C 2.325 178.643 176.300 0.030 0.000 1.137 228 R CA 1.598 57.708 56.100 0.017 0.000 0.951 228 R CB -0.382 29.936 30.300 0.031 0.000 0.851 228 R HN 0.320 nan 8.270 nan 0.000 0.434 229 I N 0.653 121.238 120.570 0.024 0.000 2.264 229 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 229 I C 2.148 178.279 176.117 0.023 0.000 1.111 229 I CA 1.225 62.553 61.300 0.046 0.000 1.382 229 I CB -1.012 37.038 38.000 0.083 0.000 1.060 229 I HN 0.131 nan 8.210 nan 0.000 0.418 230 L N 0.449 121.636 121.223 -0.060 0.000 2.044 230 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 230 L C 2.698 179.658 176.870 0.151 0.000 1.075 230 L CA 1.634 56.465 54.840 -0.014 0.000 0.747 230 L CB -0.965 40.975 42.059 -0.199 0.000 0.903 230 L HN 0.272 nan 8.230 nan 0.000 0.435 231 Q N -0.677 119.230 119.800 0.178 0.000 2.045 231 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 231 Q C 2.247 178.318 176.000 0.119 0.000 0.991 231 Q CA 1.924 57.838 55.803 0.184 0.000 0.851 231 Q CB -0.238 28.607 28.738 0.178 0.000 0.911 231 Q HN 0.392 nan 8.270 nan 0.000 0.418 232 K N 0.615 121.072 120.400 0.094 0.000 2.113 232 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 232 K C 2.024 178.675 176.600 0.085 0.000 1.047 232 K CA 1.424 57.760 56.287 0.081 0.000 0.928 232 K CB -0.015 32.530 32.500 0.075 0.000 0.716 232 K HN 0.221 nan 8.250 nan 0.000 0.446 233 Q N -1.529 118.326 119.800 0.092 0.000 2.364 233 Q HA -0.065 4.275 4.340 -0.000 0.000 0.207 233 Q C 1.020 177.061 176.000 0.069 0.000 0.970 233 Q CA 0.998 56.849 55.803 0.080 0.000 0.888 233 Q CB 0.428 29.205 28.738 0.067 0.000 0.951 233 Q HN 0.590 nan 8.270 nan 0.000 0.469 234 G N -0.591 108.255 108.800 0.077 0.000 2.229 234 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.189 234 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.189 234 G C -0.300 174.604 174.900 0.007 0.000 1.000 234 G CA -0.561 44.560 45.100 0.035 0.000 0.663 234 G HN 0.257 nan 8.290 nan 0.000 0.493 235 F N 3.402 123.293 119.950 -0.098 0.000 2.506 235 F HA 0.551 5.078 4.527 -0.000 0.000 0.371 235 F C 0.904 176.490 175.800 -0.356 0.000 1.078 235 F CA -0.187 57.667 58.000 -0.242 0.000 1.195 235 F CB 0.555 39.412 39.000 -0.237 0.000 1.099 235 F HN -0.017 nan 8.300 nan 0.000 0.548 236 K N 5.320 125.665 120.400 -0.092 0.000 2.110 236 K HA 0.493 4.813 4.320 -0.000 0.000 0.263 236 K C -1.347 175.012 176.600 -0.401 0.000 0.975 236 K CA -0.534 55.671 56.287 -0.136 0.000 0.895 236 K CB 1.314 33.774 32.500 -0.067 0.000 1.060 236 K HN 0.355 nan 8.250 nan 0.000 0.448 237 F N 0.977 120.994 119.950 0.111 0.000 2.551 237 F HA 0.361 4.888 4.527 -0.000 0.000 0.316 237 F C -0.072 175.759 175.800 0.050 0.000 1.089 237 F CA -0.813 57.229 58.000 0.070 0.000 0.915 237 F CB 1.953 40.955 39.000 0.004 0.000 1.186 237 F HN 0.183 nan 8.300 nan 0.000 0.456 238 K N 3.431 123.976 120.400 0.242 0.000 2.540 238 K HA 0.439 4.759 4.320 -0.000 0.000 0.218 238 K C -1.187 175.497 176.600 0.140 0.000 1.017 238 K CA -0.541 55.834 56.287 0.148 0.000 1.029 238 K CB 0.579 33.134 32.500 0.091 0.000 1.348 238 K HN 0.302 nan 8.250 nan 0.000 0.508 239 L N 1.623 122.915 121.223 0.116 0.000 2.475 239 L HA 0.179 4.519 4.340 -0.000 0.000 0.253 239 L C 0.443 177.331 176.870 0.029 0.000 1.198 239 L CA 0.031 54.910 54.840 0.064 0.000 0.814 239 L CB -0.134 41.941 42.059 0.026 0.000 1.134 239 L HN 0.635 nan 8.230 nan 0.000 0.478 240 N N -1.094 117.615 118.700 0.015 0.000 2.702 240 N HA -0.201 4.539 4.740 -0.000 0.000 0.261 240 N C -0.747 174.726 175.510 -0.062 0.000 0.965 240 N CA 0.812 53.853 53.050 -0.014 0.000 0.795 240 N CB -1.038 37.444 38.487 -0.008 0.000 0.909 240 N HN 0.626 nan 8.380 nan 0.000 0.546 241 T N -0.079 114.414 114.554 -0.101 0.000 2.881 241 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 241 T C -0.119 174.315 174.700 -0.443 0.000 1.000 241 T CA -1.000 61.001 62.100 -0.166 0.000 0.978 241 T CB 1.670 70.502 68.868 -0.060 0.000 0.997 241 T HN 0.257 nan 8.240 nan 0.000 0.443 242 K N 1.759 121.824 120.400 -0.558 0.000 2.166 242 K HA 0.681 5.001 4.320 -0.000 0.000 0.245 242 K C -1.234 175.101 176.600 -0.442 0.000 0.967 242 K CA -0.734 54.918 56.287 -1.058 0.000 0.863 242 K CB 1.534 33.550 32.500 -0.806 0.000 1.107 242 K HN 0.304 nan 8.250 nan 0.000 0.436 243 V N 2.921 122.722 119.914 -0.187 0.000 2.311 243 V HA 0.071 4.191 4.120 -0.000 0.000 0.275 243 V C 1.108 177.324 176.094 0.203 0.000 1.022 243 V CA -0.434 61.949 62.300 0.139 0.000 0.830 243 V CB 0.871 32.862 31.823 0.280 0.000 1.012 243 V HN 1.016 nan 8.190 nan 0.000 0.452 244 T N 3.568 118.169 114.554 0.078 0.000 2.788 244 T HA 0.141 4.491 4.350 -0.000 0.000 0.268 244 T C 0.803 175.568 174.700 0.107 0.000 1.044 244 T CA 1.642 63.793 62.100 0.085 0.000 1.139 244 T CB -0.025 68.860 68.868 0.028 0.000 0.867 244 T HN 1.008 nan 8.240 nan 0.000 0.454 245 G N -0.882 107.945 108.800 0.044 0.000 2.340 245 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 245 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 245 G C -2.069 172.798 174.900 -0.054 0.000 1.488 245 G CA -0.289 44.816 45.100 0.008 0.000 0.878 245 G HN 0.392 nan 8.290 nan 0.000 0.618 246 A N -0.333 122.443 122.820 -0.074 0.000 2.422 246 A HA 0.999 5.319 4.320 -0.000 0.000 0.302 246 A C -0.222 177.330 177.584 -0.054 0.000 1.041 246 A CA 0.070 52.056 52.037 -0.085 0.000 0.708 246 A CB 2.165 21.082 19.000 -0.137 0.000 1.257 246 A HN 2.200 nan 8.150 nan 0.000 0.414 247 T N 0.615 115.143 114.554 -0.044 0.000 2.916 247 T HA 0.531 4.881 4.350 -0.000 0.000 0.298 247 T C -0.949 173.732 174.700 -0.032 0.000 1.031 247 T CA -0.582 61.500 62.100 -0.030 0.000 0.993 247 T CB 0.944 69.800 68.868 -0.019 0.000 1.045 247 T HN 0.571 nan 8.240 nan 0.000 0.454 248 K N 3.700 124.084 120.400 -0.028 0.000 2.312 248 K HA 0.317 4.636 4.320 -0.000 0.000 0.287 248 K C 0.411 176.996 176.600 -0.025 0.000 1.062 248 K CA -0.634 55.635 56.287 -0.029 0.000 0.934 248 K CB 0.675 33.159 32.500 -0.027 0.000 1.027 248 K HN 0.456 nan 8.250 nan 0.000 0.478 249 K N 0.981 121.365 120.400 -0.027 0.000 2.168 249 K HA -0.010 4.310 4.320 -0.000 0.000 0.258 249 K C 1.459 178.046 176.600 -0.022 0.000 1.010 249 K CA 0.097 56.370 56.287 -0.024 0.000 0.929 249 K CB 1.338 33.822 32.500 -0.026 0.000 0.998 249 K HN 0.728 nan 8.250 nan 0.000 0.479 250 S N 1.155 116.844 115.700 -0.019 0.000 2.389 250 S HA -0.208 4.262 4.470 -0.000 0.000 0.231 250 S C 1.011 175.600 174.600 -0.019 0.000 1.052 250 S CA 2.149 60.339 58.200 -0.017 0.000 1.053 250 S CB -0.254 62.937 63.200 -0.014 0.000 0.886 250 S HN 0.758 nan 8.310 nan 0.000 0.456 251 D N -0.237 120.150 120.400 -0.021 0.000 2.395 251 D HA 0.316 4.956 4.640 -0.000 0.000 0.226 251 D C 1.292 177.575 176.300 -0.028 0.000 1.146 251 D CA 0.455 54.442 54.000 -0.023 0.000 0.830 251 D CB -0.416 40.370 40.800 -0.022 0.000 0.958 251 D HN 0.717 nan 8.370 nan 0.000 0.501 252 G N 0.400 109.182 108.800 -0.030 0.000 2.176 252 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 252 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 252 G C 0.326 175.201 174.900 -0.043 0.000 0.979 252 G CA 0.000 45.079 45.100 -0.035 0.000 0.641 252 G HN 0.373 nan 8.290 nan 0.000 0.530 253 K N 0.417 120.793 120.400 -0.041 0.000 2.138 253 K HA 0.550 4.870 4.320 -0.000 0.000 0.251 253 K C 0.489 177.061 176.600 -0.046 0.000 1.015 253 K CA -0.390 55.869 56.287 -0.046 0.000 0.917 253 K CB 1.068 33.543 32.500 -0.041 0.000 1.021 253 K HN 0.192 nan 8.250 nan 0.000 0.485 254 I N 1.913 122.452 120.570 -0.052 0.000 2.339 254 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 254 I C 0.112 176.200 176.117 -0.049 0.000 0.994 254 I CA -0.623 60.645 61.300 -0.053 0.000 1.191 254 I CB 1.265 39.226 38.000 -0.065 0.000 1.343 254 I HN 0.322 nan 8.210 nan 0.000 0.458 255 D N 5.381 125.755 120.400 -0.043 0.000 2.255 255 D HA 0.427 5.067 4.640 -0.000 0.000 0.249 255 D C -0.585 175.688 176.300 -0.045 0.000 1.078 255 D CA -0.020 53.957 54.000 -0.039 0.000 0.896 255 D CB 2.446 43.228 40.800 -0.030 0.000 1.194 255 D HN 0.119 nan 8.370 nan 0.000 0.429 256 V N 1.955 121.843 119.914 -0.043 0.000 2.525 256 V HA 0.228 4.348 4.120 -0.000 0.000 0.299 256 V C 0.091 176.164 176.094 -0.035 0.000 1.034 256 V CA -0.766 61.504 62.300 -0.050 0.000 0.863 256 V CB 1.932 33.721 31.823 -0.056 0.000 0.999 256 V HN 0.409 nan 8.190 nan 0.000 0.423 257 S N 5.358 121.040 115.700 -0.031 0.000 2.452 257 S HA 0.662 5.132 4.470 -0.000 0.000 0.284 257 S C -0.238 174.352 174.600 -0.016 0.000 1.171 257 S CA -0.224 57.965 58.200 -0.018 0.000 1.064 257 S CB 0.447 63.642 63.200 -0.010 0.000 0.967 257 S HN 0.536 nan 8.310 nan 0.000 0.484 258 I N 2.463 123.020 120.570 -0.020 0.000 3.023 258 I HA 0.603 4.773 4.170 -0.000 0.000 0.312 258 I C -0.277 175.814 176.117 -0.044 0.000 1.056 258 I CA -0.653 60.628 61.300 -0.032 0.000 1.033 258 I CB 2.179 40.166 38.000 -0.022 0.000 1.233 258 I HN 0.622 nan 8.210 nan 0.000 0.462 259 E N 2.611 122.768 120.200 -0.072 0.000 2.478 259 E HA 0.486 4.836 4.350 -0.000 0.000 0.293 259 E C -1.580 174.963 176.600 -0.093 0.000 1.011 259 E CA -0.690 55.669 56.400 -0.068 0.000 0.834 259 E CB 1.423 31.088 29.700 -0.060 0.000 1.226 259 E HN 0.681 nan 8.360 nan 0.000 0.419 260 A N 2.849 125.630 122.820 -0.066 0.000 2.511 260 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 260 A C 1.270 178.805 177.584 -0.081 0.000 1.069 260 A CA 0.623 52.620 52.037 -0.066 0.000 0.763 260 A CB 0.396 19.373 19.000 -0.038 0.000 1.001 260 A HN 0.952 nan 8.150 nan 0.000 0.498 261 A N 2.007 124.769 122.820 -0.096 0.000 2.125 261 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 261 A C 2.047 179.600 177.584 -0.052 0.000 1.156 261 A CA 2.230 54.209 52.037 -0.097 0.000 0.671 261 A CB -0.504 18.440 19.000 -0.093 0.000 0.794 261 A HN 1.346 nan 8.150 nan 0.000 0.459 262 S N -1.210 114.467 115.700 -0.037 0.000 3.036 262 S HA 0.459 4.929 4.470 -0.000 0.000 0.194 262 S C 1.505 176.092 174.600 -0.021 0.000 0.797 262 S CA 0.320 58.507 58.200 -0.022 0.000 0.822 262 S CB -1.399 61.792 63.200 -0.014 0.000 0.810 262 S HN 0.889 nan 8.310 nan 0.000 0.629 263 G N 0.712 109.500 108.800 -0.019 0.000 3.077 263 G HA2 0.328 4.288 3.960 -0.000 0.000 0.259 263 G HA3 0.328 4.288 3.960 -0.000 0.000 0.259 263 G C 0.559 175.446 174.900 -0.022 0.000 1.268 263 G CA 0.007 45.096 45.100 -0.018 0.000 0.944 263 G HN 1.039 nan 8.290 nan 0.000 0.632 264 G N -1.011 107.779 108.800 -0.017 0.000 4.144 264 G HA2 0.313 4.273 3.960 -0.000 0.000 0.297 264 G HA3 0.313 4.273 3.960 -0.000 0.000 0.297 264 G C 0.398 175.288 174.900 -0.017 0.000 1.090 264 G CA -0.414 44.676 45.100 -0.017 0.000 0.870 264 G HN 0.481 nan 8.290 nan 0.000 0.532 265 K N 1.976 122.364 120.400 -0.019 0.000 2.095 265 K HA 0.351 4.671 4.320 -0.000 0.000 0.258 265 K C 0.592 177.180 176.600 -0.020 0.000 1.120 265 K CA -0.157 56.119 56.287 -0.017 0.000 1.026 265 K CB 0.659 33.150 32.500 -0.015 0.000 1.256 265 K HN 0.292 nan 8.250 nan 0.000 0.360 266 A N 3.352 126.162 122.820 -0.016 0.000 2.401 266 A HA 0.189 4.509 4.320 -0.000 0.000 0.259 266 A C -0.016 177.560 177.584 -0.014 0.000 1.103 266 A CA -0.083 51.945 52.037 -0.016 0.000 0.789 266 A CB 0.479 19.472 19.000 -0.012 0.000 1.035 266 A HN 0.746 nan 8.150 nan 0.000 0.491 267 E N 1.481 121.672 120.200 -0.015 0.000 2.390 267 E HA 0.511 4.861 4.350 -0.000 0.000 0.280 267 E C -2.075 174.516 176.600 -0.014 0.000 0.992 267 E CA -0.571 55.821 56.400 -0.012 0.000 0.790 267 E CB 2.123 31.817 29.700 -0.011 0.000 1.248 267 E HN 0.407 nan 8.360 nan 0.000 0.447 268 V N 4.760 124.666 119.914 -0.014 0.000 2.378 268 V HA 0.396 4.516 4.120 -0.000 0.000 0.288 268 V C 0.287 176.370 176.094 -0.018 0.000 1.016 268 V CA -0.742 61.548 62.300 -0.017 0.000 0.840 268 V CB 0.990 32.803 31.823 -0.016 0.000 0.994 268 V HN 0.543 nan 8.190 nan 0.000 0.431 269 I N 1.893 122.451 120.570 -0.021 0.000 2.437 269 I HA 0.729 4.899 4.170 -0.000 0.000 0.298 269 I C -0.038 176.061 176.117 -0.030 0.000 0.984 269 I CA -0.038 61.248 61.300 -0.023 0.000 1.214 269 I CB 2.100 40.088 38.000 -0.020 0.000 1.365 269 I HN 0.474 nan 8.210 nan 0.000 0.469 270 T N 5.378 119.913 114.554 -0.032 0.000 2.928 270 T HA 0.632 4.982 4.350 -0.000 0.000 0.284 270 T C -0.145 174.527 174.700 -0.047 0.000 1.008 270 T CA -0.443 61.634 62.100 -0.038 0.000 1.057 270 T CB 1.304 70.152 68.868 -0.034 0.000 1.018 270 T HN 0.961 nan 8.240 nan 0.000 0.493 271 C N 0.317 119.584 119.300 -0.054 0.000 3.321 271 C HA 0.616 5.076 4.460 -0.000 0.000 0.329 271 C C 0.523 175.469 174.990 -0.072 0.000 1.394 271 C CA -0.816 58.162 59.018 -0.066 0.000 1.291 271 C CB 0.868 28.562 27.740 -0.076 0.000 1.606 271 C HN 0.711 nan 8.230 nan 0.000 0.463 272 D N 0.344 120.692 120.400 -0.086 0.000 2.149 272 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 272 D C 0.435 176.668 176.300 -0.112 0.000 0.967 272 D CA 1.310 55.253 54.000 -0.095 0.000 0.848 272 D CB 0.121 40.858 40.800 -0.105 0.000 0.998 272 D HN 0.503 nan 8.370 nan 0.000 0.474 273 V N 1.439 121.272 119.914 -0.134 0.000 2.531 273 V HA 0.314 4.434 4.120 -0.000 0.000 0.301 273 V C -0.920 175.098 176.094 -0.127 0.000 1.034 273 V CA -1.003 61.206 62.300 -0.150 0.000 0.865 273 V CB 2.361 34.049 31.823 -0.225 0.000 0.995 273 V HN -0.045 nan 8.190 nan 0.000 0.424 274 L N 5.989 127.149 121.223 -0.105 0.000 2.272 274 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 274 L C -0.731 176.094 176.870 -0.075 0.000 1.032 274 L CA -0.034 54.755 54.840 -0.087 0.000 0.810 274 L CB 1.176 43.182 42.059 -0.088 0.000 1.205 274 L HN 0.667 nan 8.230 nan 0.000 0.422 275 L N 6.456 127.648 121.223 -0.050 0.000 2.298 275 L HA 0.542 4.882 4.340 -0.000 0.000 0.284 275 L C -1.139 175.736 176.870 0.009 0.000 1.013 275 L CA -0.701 54.128 54.840 -0.018 0.000 0.824 275 L CB 1.617 43.679 42.059 0.006 0.000 1.221 275 L HN 0.417 nan 8.230 nan 0.000 0.418 276 V N 4.716 124.638 119.914 0.013 0.000 2.348 276 V HA 0.226 4.346 4.120 -0.000 0.000 0.270 276 V C -0.015 176.118 176.094 0.066 0.000 1.037 276 V CA -0.455 61.871 62.300 0.043 0.000 0.872 276 V CB 0.802 32.654 31.823 0.049 0.000 1.002 276 V HN 0.940 nan 8.190 nan 0.000 0.464 277 C N 4.055 123.401 119.300 0.077 0.000 3.287 277 C HA 0.517 4.977 4.460 -0.000 0.000 0.260 277 C C 1.002 176.024 174.990 0.054 0.000 1.133 277 C CA -0.850 58.209 59.018 0.069 0.000 1.402 277 C CB -1.175 26.610 27.740 0.076 0.000 1.832 277 C HN 0.880 nan 8.230 nan 0.000 0.509 278 I N -0.012 120.582 120.570 0.038 0.000 3.793 278 I HA 0.639 4.809 4.170 -0.000 0.000 0.315 278 I C 0.885 176.979 176.117 -0.039 0.000 1.275 278 I CA 0.732 62.013 61.300 -0.033 0.000 1.214 278 I CB -0.068 37.878 38.000 -0.091 0.000 1.018 278 I HN 0.838 nan 8.210 nan 0.000 0.439 279 G N 0.843 109.640 108.800 -0.004 0.000 2.359 279 G HA2 0.306 4.266 3.960 -0.000 0.000 0.293 279 G HA3 0.306 4.266 3.960 -0.000 0.000 0.293 279 G C -1.417 173.488 174.900 0.009 0.000 1.300 279 G CA -1.110 43.989 45.100 -0.001 0.000 0.888 279 G HN 0.160 nan 8.290 nan 0.000 0.541 280 R N -0.527 119.979 120.500 0.010 0.000 2.888 280 R HA 0.809 5.149 4.340 -0.000 0.000 0.266 280 R C -0.256 176.055 176.300 0.018 0.000 1.020 280 R CA -1.037 55.073 56.100 0.016 0.000 0.963 280 R CB 2.512 32.821 30.300 0.016 0.000 1.197 280 R HN 0.856 nan 8.270 nan 0.000 0.481 281 R N 0.668 121.189 120.500 0.035 0.000 2.698 281 R HA 0.483 4.823 4.340 -0.000 0.000 0.275 281 R C -3.137 173.207 176.300 0.073 0.000 1.001 281 R CA -2.112 54.014 56.100 0.043 0.000 0.896 281 R CB 2.149 32.474 30.300 0.042 0.000 1.218 281 R HN 0.257 nan 8.270 nan 0.000 0.462 282 P HA 0.065 nan 4.420 nan 0.000 0.268 282 P C -1.250 176.132 177.300 0.137 0.000 1.204 282 P CA -0.053 63.097 63.100 0.084 0.000 0.768 282 P CB 0.119 31.845 31.700 0.044 0.000 0.842 283 F N 3.651 123.610 119.950 0.014 0.000 2.404 283 F HA 0.415 4.942 4.527 -0.000 0.000 0.354 283 F C 0.690 176.512 175.800 0.037 0.000 1.122 283 F CA -0.042 57.973 58.000 0.024 0.000 1.080 283 F CB 0.962 39.973 39.000 0.018 0.000 1.131 283 F HN 0.305 nan 8.300 nan 0.000 0.471 284 T N 1.506 115.674 114.554 -0.644 0.000 3.262 284 T HA 0.250 4.600 4.350 -0.000 0.000 0.300 284 T C 0.267 174.664 174.700 -0.505 0.000 0.959 284 T CA -0.510 61.304 62.100 -0.478 0.000 0.936 284 T CB -0.308 68.446 68.868 -0.191 0.000 1.169 284 T HN 0.441 nan 8.240 nan 0.000 0.532 285 K N 2.619 122.553 120.400 -0.777 0.000 2.561 285 K HA 0.015 4.335 4.320 -0.000 0.000 0.280 285 K C 0.151 176.669 176.600 -0.137 0.000 0.975 285 K CA 0.186 56.270 56.287 -0.339 0.000 1.024 285 K CB 0.041 32.440 32.500 -0.169 0.000 0.883 285 K HN 0.207 nan 8.250 nan 0.000 0.496 286 N N 1.132 119.764 118.700 -0.114 0.000 2.696 286 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 286 N C 0.160 175.620 175.510 -0.083 0.000 1.090 286 N CA 0.489 53.447 53.050 -0.154 0.000 0.716 286 N CB -0.689 37.553 38.487 -0.408 0.000 1.020 286 N HN 0.395 nan 8.380 nan 0.000 0.548 287 L N -0.656 120.538 121.223 -0.049 0.000 2.529 287 L HA 0.298 4.638 4.340 -0.000 0.000 0.223 287 L C 1.575 178.434 176.870 -0.018 0.000 1.113 287 L CA 1.616 56.453 54.840 -0.005 0.000 0.861 287 L CB -0.430 41.621 42.059 -0.013 0.000 1.012 287 L HN 0.461 nan 8.230 nan 0.000 0.461 288 G N -0.483 108.294 108.800 -0.039 0.000 2.182 288 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 288 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 288 G C 0.928 175.814 174.900 -0.025 0.000 1.042 288 G CA 0.608 45.688 45.100 -0.032 0.000 0.775 288 G HN 0.401 nan 8.290 nan 0.000 0.501 289 L N -0.193 121.013 121.223 -0.029 0.000 2.179 289 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 289 L C 2.780 179.636 176.870 -0.023 0.000 1.096 289 L CA 1.346 56.172 54.840 -0.024 0.000 0.779 289 L CB -0.345 41.698 42.059 -0.026 0.000 0.922 289 L HN 0.354 nan 8.230 nan 0.000 0.443 290 E N 0.769 120.953 120.200 -0.027 0.000 2.051 290 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 290 E C 1.570 178.158 176.600 -0.020 0.000 0.991 290 E CA 1.246 57.632 56.400 -0.024 0.000 0.799 290 E CB -0.715 28.970 29.700 -0.026 0.000 0.748 290 E HN 0.583 nan 8.360 nan 0.000 0.449 291 E N 0.905 121.093 120.200 -0.020 0.000 2.512 291 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 291 E C 1.687 178.278 176.600 -0.015 0.000 1.083 291 E CA 0.170 56.559 56.400 -0.017 0.000 0.873 291 E CB -0.237 29.453 29.700 -0.018 0.000 0.897 291 E HN 0.305 nan 8.360 nan 0.000 0.514 292 L N -0.186 121.028 121.223 -0.015 0.000 2.693 292 L HA 0.233 4.573 4.340 -0.000 0.000 0.235 292 L C 1.171 178.032 176.870 -0.015 0.000 1.127 292 L CA 0.421 55.253 54.840 -0.013 0.000 0.914 292 L CB 0.146 42.198 42.059 -0.012 0.000 1.193 292 L HN 0.358 nan 8.230 nan 0.000 0.502 293 G N 1.053 109.844 108.800 -0.016 0.000 2.179 293 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 293 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 293 G C 0.355 175.245 174.900 -0.017 0.000 0.977 293 G CA -0.080 45.010 45.100 -0.016 0.000 0.641 293 G HN 0.301 nan 8.290 nan 0.000 0.533 294 I N 1.715 122.274 120.570 -0.018 0.000 2.494 294 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 294 I C 0.513 176.620 176.117 -0.017 0.000 1.106 294 I CA 0.037 61.326 61.300 -0.018 0.000 1.369 294 I CB 0.378 38.367 38.000 -0.017 0.000 1.410 294 I HN 0.164 nan 8.210 nan 0.000 0.523 295 E N 6.411 126.601 120.200 -0.016 0.000 2.266 295 E HA 0.506 4.856 4.350 -0.000 0.000 0.277 295 E C -0.670 175.923 176.600 -0.012 0.000 1.018 295 E CA -0.591 55.800 56.400 -0.014 0.000 0.840 295 E CB 1.448 31.140 29.700 -0.013 0.000 1.082 295 E HN 0.434 nan 8.360 nan 0.000 0.395 296 L N 2.169 123.385 121.223 -0.012 0.000 2.416 296 L HA 0.282 4.622 4.340 -0.000 0.000 0.262 296 L C 0.620 177.486 176.870 -0.006 0.000 1.093 296 L CA -0.947 53.888 54.840 -0.009 0.000 0.801 296 L CB 0.401 42.452 42.059 -0.012 0.000 1.191 296 L HN 0.620 nan 8.230 nan 0.000 0.459 297 D N 1.596 121.995 120.400 -0.002 0.000 2.377 297 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 297 D C -1.977 174.322 176.300 -0.001 0.000 1.196 297 D CA -1.578 52.422 54.000 -0.000 0.000 0.962 297 D CB 1.048 41.850 40.800 0.004 0.000 1.127 297 D HN 0.287 nan 8.370 nan 0.000 0.471 298 P HA -0.086 nan 4.420 nan 0.000 0.228 298 P C 0.782 178.081 177.300 -0.003 0.000 1.151 298 P CA 0.794 63.892 63.100 -0.002 0.000 0.770 298 P CB 0.178 31.877 31.700 -0.002 0.000 0.786 299 R N -1.102 119.397 120.500 -0.001 0.000 2.317 299 R HA 0.276 4.616 4.340 -0.000 0.000 0.208 299 R C 1.405 177.706 176.300 0.002 0.000 0.914 299 R CA 0.607 56.706 56.100 -0.001 0.000 1.060 299 R CB -0.172 30.128 30.300 0.001 0.000 1.015 299 R HN 0.177 nan 8.270 nan 0.000 0.498 300 G N 1.365 110.165 108.800 0.000 0.000 2.175 300 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 300 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 300 G C 0.136 175.037 174.900 0.002 0.000 0.982 300 G CA -0.219 44.880 45.100 -0.001 0.000 0.641 300 G HN 0.245 nan 8.290 nan 0.000 0.527 301 R N -0.574 119.930 120.500 0.007 0.000 2.546 301 R HA 0.697 5.037 4.340 -0.000 0.000 0.266 301 R C 0.393 176.702 176.300 0.014 0.000 1.086 301 R CA -0.562 55.547 56.100 0.015 0.000 1.160 301 R CB 0.705 31.016 30.300 0.019 0.000 1.138 301 R HN 0.221 nan 8.270 nan 0.000 0.567 302 I N 3.928 124.513 120.570 0.025 0.000 2.330 302 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 302 I C -1.917 174.219 176.117 0.031 0.000 1.025 302 I CA -2.287 59.026 61.300 0.022 0.000 1.197 302 I CB 1.478 39.496 38.000 0.030 0.000 1.358 302 I HN 0.278 nan 8.210 nan 0.000 0.467 303 P HA 0.059 nan 4.420 nan 0.000 0.265 303 P C -0.617 176.689 177.300 0.011 0.000 1.193 303 P CA 0.210 63.318 63.100 0.014 0.000 0.765 303 P CB 1.117 32.817 31.700 -0.001 0.000 0.823 304 V N -0.429 119.490 119.914 0.008 0.000 3.188 304 V HA 0.525 4.645 4.120 -0.000 0.000 0.305 304 V C -0.020 176.023 176.094 -0.084 0.000 1.232 304 V CA -1.183 61.110 62.300 -0.011 0.000 1.043 304 V CB 1.721 33.593 31.823 0.081 0.000 1.068 304 V HN 0.289 nan 8.190 nan 0.000 0.439 305 N N 0.997 119.626 118.700 -0.119 0.000 2.235 305 N HA 0.245 4.985 4.740 -0.000 0.000 0.231 305 N C 1.165 176.496 175.510 -0.298 0.000 1.330 305 N CA 0.755 53.708 53.050 -0.161 0.000 0.898 305 N CB 0.536 38.945 38.487 -0.130 0.000 1.151 305 N HN 1.018 nan 8.380 nan 0.000 0.472 306 T N -1.384 113.022 114.554 -0.246 0.000 3.144 306 T HA 0.225 4.575 4.350 -0.000 0.000 0.249 306 T C 1.023 175.531 174.700 -0.320 0.000 1.089 306 T CA 0.388 62.293 62.100 -0.326 0.000 0.989 306 T CB 0.092 68.856 68.868 -0.174 0.000 0.992 306 T HN 0.380 nan 8.240 nan 0.000 0.540 307 R N -0.317 120.059 120.500 -0.207 0.000 2.509 307 R HA 0.408 4.748 4.340 -0.000 0.000 0.297 307 R C -0.438 176.043 176.300 0.301 0.000 0.951 307 R CA -0.310 55.823 56.100 0.054 0.000 1.103 307 R CB 0.232 30.610 30.300 0.132 0.000 1.283 307 R HN 0.254 nan 8.270 nan 0.000 0.534 308 F N 0.515 120.528 119.950 0.104 0.000 2.737 308 F HA -0.236 4.291 4.527 -0.000 0.000 0.288 308 F C -0.177 175.626 175.800 0.005 0.000 0.708 308 F CA 0.320 58.398 58.000 0.130 0.000 1.483 308 F CB -1.943 37.196 39.000 0.232 0.000 1.745 308 F HN 0.073 nan 8.300 nan 0.000 0.354 309 Q N 0.156 119.879 119.800 -0.128 0.000 2.260 309 Q HA 0.591 4.931 4.340 -0.000 0.000 0.242 309 Q C 0.891 176.759 176.000 -0.220 0.000 0.932 309 Q CA 0.017 55.523 55.803 -0.495 0.000 0.891 309 Q CB 1.615 30.041 28.738 -0.521 0.000 1.222 309 Q HN 0.350 nan 8.270 nan 0.000 0.453 310 T N -1.791 112.637 114.554 -0.211 0.000 2.891 310 T HA 0.207 4.557 4.350 -0.000 0.000 0.294 310 T C 1.010 175.648 174.700 -0.104 0.000 1.065 310 T CA -0.700 61.339 62.100 -0.103 0.000 0.936 310 T CB 0.484 69.309 68.868 -0.071 0.000 1.415 310 T HN 0.397 nan 8.240 nan 0.000 0.572 311 K N -0.158 120.202 120.400 -0.066 0.000 2.089 311 K HA 0.059 4.379 4.320 -0.000 0.000 0.210 311 K C 0.530 177.091 176.600 -0.065 0.000 1.048 311 K CA 1.122 57.376 56.287 -0.056 0.000 0.926 311 K CB -1.080 31.397 32.500 -0.038 0.000 0.714 311 K HN 0.618 nan 8.250 nan 0.000 0.448 312 I N 1.440 121.969 120.570 -0.068 0.000 2.352 312 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 312 I C -1.705 174.344 176.117 -0.112 0.000 1.036 312 I CA -1.855 59.405 61.300 -0.066 0.000 1.336 312 I CB 1.450 39.423 38.000 -0.044 0.000 1.407 312 I HN 0.025 nan 8.210 nan 0.000 0.497 313 P HA -0.116 nan 4.420 nan 0.000 0.219 313 P C 0.596 177.789 177.300 -0.178 0.000 1.150 313 P CA 1.133 64.148 63.100 -0.142 0.000 0.814 313 P CB -0.020 31.643 31.700 -0.061 0.000 0.787 314 N N -0.530 118.134 118.700 -0.059 0.000 2.270 314 N HA 0.034 4.774 4.740 -0.000 0.000 0.198 314 N C 0.006 175.579 175.510 0.104 0.000 1.117 314 N CA 0.116 53.210 53.050 0.074 0.000 0.845 314 N CB -0.026 38.509 38.487 0.081 0.000 0.980 314 N HN 0.183 nan 8.380 nan 0.000 0.486 315 I N 1.089 121.619 120.570 -0.067 0.000 2.378 315 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 315 I C -0.801 175.238 176.117 -0.129 0.000 0.992 315 I CA -0.886 60.417 61.300 0.006 0.000 1.154 315 I CB 0.855 38.853 38.000 -0.004 0.000 1.315 315 I HN -0.184 nan 8.210 nan 0.000 0.448 316 Y N 3.865 124.177 120.300 0.019 0.000 2.650 316 Y HA 0.847 5.397 4.550 -0.000 0.000 0.331 316 Y C 0.176 176.100 175.900 0.040 0.000 1.082 316 Y CA -1.192 56.936 58.100 0.047 0.000 1.171 316 Y CB 1.806 40.289 38.460 0.038 0.000 1.326 316 Y HN 0.593 nan 8.280 nan 0.000 0.513 317 A N 1.325 124.290 122.820 0.243 0.000 2.540 317 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 317 A C -1.273 176.382 177.584 0.118 0.000 1.056 317 A CA -0.493 51.627 52.037 0.140 0.000 0.700 317 A CB 0.925 19.992 19.000 0.113 0.000 1.280 317 A HN 0.797 nan 8.150 nan 0.000 0.398 318 I N -0.869 119.701 120.570 0.001 0.000 3.509 318 I HA 0.969 5.139 4.170 -0.000 0.000 0.311 318 I C 0.550 176.635 176.117 -0.054 0.000 1.178 318 I CA -0.466 60.763 61.300 -0.118 0.000 0.963 318 I CB 1.675 39.493 38.000 -0.303 0.000 1.352 318 I HN 2.175 nan 8.210 nan 0.000 0.482 319 G N 1.619 110.373 108.800 -0.077 0.000 2.593 319 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.237 319 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.237 319 G C -0.163 174.723 174.900 -0.024 0.000 1.312 319 G CA 0.540 45.611 45.100 -0.048 0.000 0.896 319 G HN 0.838 nan 8.290 nan 0.000 0.574 320 D N -0.660 119.730 120.400 -0.016 0.000 2.310 320 D HA 0.022 4.662 4.640 -0.000 0.000 0.212 320 D C 2.347 178.656 176.300 0.016 0.000 0.965 320 D CA 1.082 55.077 54.000 -0.009 0.000 0.879 320 D CB -0.002 40.798 40.800 0.001 0.000 0.921 320 D HN 0.431 nan 8.370 nan 0.000 0.510 321 V N 0.079 120.013 119.914 0.032 0.000 3.444 321 V HA -0.009 4.111 4.120 -0.000 0.000 0.271 321 V C 0.489 176.609 176.094 0.043 0.000 1.188 321 V CA 0.410 62.737 62.300 0.045 0.000 1.168 321 V CB -0.005 31.851 31.823 0.055 0.000 0.810 321 V HN -0.138 nan 8.190 nan 0.000 0.500 322 V N -0.834 119.107 119.914 0.044 0.000 3.160 322 V HA 0.766 4.886 4.120 -0.000 0.000 0.310 322 V C 0.317 176.439 176.094 0.046 0.000 1.181 322 V CA -0.693 61.649 62.300 0.070 0.000 1.047 322 V CB 1.967 33.869 31.823 0.132 0.000 1.068 322 V HN 0.277 nan 8.190 nan 0.000 0.441 323 A N 1.155 124.010 122.820 0.058 0.000 2.536 323 A HA 0.615 4.935 4.320 -0.000 0.000 0.234 323 A C 0.740 178.280 177.584 -0.073 0.000 1.076 323 A CA 1.040 53.087 52.037 0.017 0.000 0.769 323 A CB -0.499 18.532 19.000 0.051 0.000 1.020 323 A HN 2.517 nan 8.150 nan 0.000 0.508 324 G N 0.294 108.997 108.800 -0.162 0.000 2.462 324 G HA2 0.207 4.167 3.960 -0.000 0.000 0.685 324 G HA3 0.207 4.167 3.960 -0.000 0.000 0.685 324 G C -3.163 171.574 174.900 -0.273 0.000 1.295 324 G CA -0.517 44.346 45.100 -0.395 0.000 0.941 324 G HN 0.843 nan 8.290 nan 0.000 0.554 325 P HA 0.301 nan 4.420 nan 0.000 0.263 325 P C 0.239 177.432 177.300 -0.179 0.000 1.195 325 P CA 0.246 63.226 63.100 -0.199 0.000 0.762 325 P CB 0.368 31.931 31.700 -0.228 0.000 0.799 326 M N 4.243 123.776 119.600 -0.113 0.000 3.213 326 M HA 0.202 4.682 4.480 -0.000 0.000 0.275 326 M C -0.683 175.553 176.300 -0.107 0.000 1.424 326 M CA 0.252 55.496 55.300 -0.094 0.000 1.561 326 M CB -0.481 32.090 32.600 -0.048 0.000 1.109 326 M HN 0.238 nan 8.290 nan 0.000 0.552 327 L N 0.102 121.218 121.223 -0.178 0.000 2.371 327 L HA 0.579 4.919 4.340 -0.000 0.000 0.262 327 L C 0.953 177.672 176.870 -0.252 0.000 1.006 327 L CA -0.502 54.194 54.840 -0.240 0.000 0.818 327 L CB 2.011 43.806 42.059 -0.439 0.000 1.354 327 L HN 0.538 nan 8.230 nan 0.000 0.415 328 A N 0.658 123.388 122.820 -0.150 0.000 1.902 328 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 328 A C 1.788 179.332 177.584 -0.067 0.000 1.181 328 A CA 1.628 53.631 52.037 -0.057 0.000 0.623 328 A CB -0.701 18.322 19.000 0.037 0.000 0.818 328 A HN 0.905 nan 8.150 nan 0.000 0.443 329 H N -1.867 117.182 119.070 -0.036 0.000 2.555 329 H HA 0.146 4.702 4.556 -0.000 0.000 0.269 329 H C 1.494 176.799 175.328 -0.039 0.000 0.988 329 H CA 1.127 57.151 56.048 -0.040 0.000 1.178 329 H CB -0.069 29.670 29.762 -0.038 0.000 1.373 329 H HN 0.364 nan 8.280 nan 0.000 0.588 330 K N 1.665 121.854 120.400 -0.352 0.000 2.166 330 K HA 0.115 4.435 4.320 -0.000 0.000 0.201 330 K C 2.176 178.707 176.600 -0.115 0.000 1.052 330 K CA 0.939 57.106 56.287 -0.199 0.000 0.969 330 K CB -0.094 32.237 32.500 -0.282 0.000 0.761 330 K HN 0.267 nan 8.250 nan 0.000 0.459 331 A N 1.664 124.405 122.820 -0.131 0.000 1.865 331 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 331 A C 2.048 179.562 177.584 -0.117 0.000 1.191 331 A CA 1.765 53.736 52.037 -0.109 0.000 0.623 331 A CB -0.536 18.413 19.000 -0.086 0.000 0.826 331 A HN 0.467 nan 8.150 nan 0.000 0.444 332 E N -0.388 119.754 120.200 -0.096 0.000 2.038 332 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 332 E C 1.713 178.249 176.600 -0.105 0.000 1.000 332 E CA 1.547 57.880 56.400 -0.111 0.000 0.803 332 E CB -0.254 29.404 29.700 -0.071 0.000 0.750 332 E HN 0.626 nan 8.360 nan 0.000 0.448 333 D N 0.290 120.653 120.400 -0.062 0.000 2.117 333 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 333 D C 1.734 177.976 176.300 -0.097 0.000 0.987 333 D CA 0.946 54.917 54.000 -0.050 0.000 0.829 333 D CB -0.043 40.760 40.800 0.003 0.000 0.961 333 D HN 0.176 nan 8.370 nan 0.000 0.460 334 E N 0.084 120.201 120.200 -0.138 0.000 2.049 334 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 334 E C 2.244 178.562 176.600 -0.470 0.000 1.007 334 E CA 1.175 57.362 56.400 -0.354 0.000 0.809 334 E CB -0.334 29.137 29.700 -0.383 0.000 0.749 334 E HN 0.329 nan 8.360 nan 0.000 0.450 335 G N 1.477 110.083 108.800 -0.323 0.000 2.514 335 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 335 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 335 G C 1.603 176.373 174.900 -0.216 0.000 1.198 335 G CA 1.139 46.076 45.100 -0.271 0.000 0.780 335 G HN 0.148 nan 8.290 nan 0.000 0.565 336 I N 1.811 122.285 120.570 -0.160 0.000 2.151 336 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 336 I C 2.843 178.911 176.117 -0.081 0.000 1.080 336 I CA 1.675 62.910 61.300 -0.108 0.000 1.339 336 I CB -0.439 37.515 38.000 -0.077 0.000 1.039 336 I HN 0.375 nan 8.210 nan 0.000 0.409 337 I N -1.246 119.284 120.570 -0.066 0.000 2.226 337 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 337 I C 2.862 178.982 176.117 0.004 0.000 1.100 337 I CA 1.298 62.600 61.300 0.003 0.000 1.374 337 I CB -1.033 37.011 38.000 0.073 0.000 1.057 337 I HN 0.318 nan 8.210 nan 0.000 0.413 338 C N 1.933 121.183 119.300 -0.082 0.000 2.336 338 C HA -0.210 4.250 4.460 -0.000 0.000 0.275 338 C C 3.082 177.974 174.990 -0.164 0.000 1.175 338 C CA 2.354 61.313 59.018 -0.098 0.000 1.771 338 C CB -1.066 26.506 27.740 -0.279 0.000 2.030 338 C HN 0.636 nan 8.230 nan 0.000 0.442 339 V N -0.240 119.550 119.914 -0.206 0.000 2.358 339 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 339 V C 2.189 178.259 176.094 -0.040 0.000 1.047 339 V CA 2.412 64.579 62.300 -0.221 0.000 1.035 339 V CB -1.347 30.341 31.823 -0.225 0.000 0.658 339 V HN 0.650 nan 8.190 nan 0.000 0.452 340 E N 1.458 121.660 120.200 0.003 0.000 2.114 340 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 340 E C 2.289 178.928 176.600 0.065 0.000 1.008 340 E CA 1.639 58.071 56.400 0.053 0.000 0.810 340 E CB -0.639 29.083 29.700 0.036 0.000 0.739 340 E HN 0.741 nan 8.360 nan 0.000 0.456 341 G N 1.139 109.969 108.800 0.050 0.000 2.404 341 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 341 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 341 G C 1.564 176.513 174.900 0.082 0.000 1.174 341 G CA 0.763 45.912 45.100 0.081 0.000 0.780 341 G HN 0.094 nan 8.290 nan 0.000 0.537 342 M N 1.098 120.701 119.600 0.005 0.000 2.260 342 M HA -0.058 4.422 4.480 -0.000 0.000 0.261 342 M C 2.620 179.047 176.300 0.212 0.000 1.066 342 M CA 1.359 56.675 55.300 0.027 0.000 1.082 342 M CB -0.178 32.278 32.600 -0.241 0.000 1.388 342 M HN 0.272 nan 8.290 nan 0.000 0.419 343 A N -0.235 122.730 122.820 0.242 0.000 2.259 343 A HA 0.403 4.723 4.320 -0.000 0.000 0.208 343 A C 1.812 179.459 177.584 0.104 0.000 1.201 343 A CA 0.793 52.967 52.037 0.227 0.000 0.824 343 A CB -0.833 18.274 19.000 0.179 0.000 0.838 343 A HN 0.687 nan 8.150 nan 0.000 0.485 344 G N -1.790 107.069 108.800 0.099 0.000 2.241 344 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.244 344 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.244 344 G C 0.990 175.923 174.900 0.055 0.000 0.998 344 G CA 0.288 45.429 45.100 0.068 0.000 0.621 344 G HN 1.429 nan 8.290 nan 0.000 0.519 345 G N 0.425 109.258 108.800 0.055 0.000 2.647 345 G HA2 0.598 4.558 3.960 -0.000 0.000 0.271 345 G HA3 0.598 4.558 3.960 -0.000 0.000 0.271 345 G C 0.635 175.568 174.900 0.054 0.000 1.300 345 G CA 0.719 45.847 45.100 0.047 0.000 0.997 345 G HN 1.613 nan 8.290 nan 0.000 0.533 346 A N -1.583 121.267 122.820 0.050 0.000 2.279 346 A HA 0.630 4.950 4.320 -0.000 0.000 0.303 346 A C -0.046 177.587 177.584 0.082 0.000 1.108 346 A CA 0.024 52.097 52.037 0.059 0.000 0.830 346 A CB 1.317 20.344 19.000 0.045 0.000 1.106 346 A HN 1.948 nan 8.150 nan 0.000 0.493 347 V N 0.238 120.211 119.914 0.099 0.000 2.398 347 V HA 0.677 4.797 4.120 -0.000 0.000 0.282 347 V C -0.892 175.283 176.094 0.136 0.000 1.014 347 V CA -0.361 62.017 62.300 0.129 0.000 0.838 347 V CB 0.466 32.394 31.823 0.175 0.000 1.018 347 V HN 1.111 nan 8.190 nan 0.000 0.432 348 H N 4.355 123.434 119.070 0.016 0.000 2.690 348 H HA 0.872 5.428 4.556 -0.000 0.000 0.368 348 H C -1.374 173.937 175.328 -0.028 0.000 1.150 348 H CA -0.630 55.400 56.048 -0.029 0.000 1.174 348 H CB 2.116 31.857 29.762 -0.035 0.000 1.684 348 H HN 1.018 nan 8.280 nan 0.000 0.538 349 I N 3.007 123.101 120.570 -0.793 0.000 2.775 349 I HA 0.249 4.419 4.170 -0.000 0.000 0.295 349 I C -1.755 173.855 176.117 -0.845 0.000 1.287 349 I CA -0.656 60.257 61.300 -0.645 0.000 1.029 349 I CB 2.016 39.846 38.000 -0.283 0.000 1.282 349 I HN 0.665 nan 8.210 nan 0.000 0.426 350 D N 5.524 125.625 120.400 -0.498 0.000 2.427 350 D HA 0.252 4.892 4.640 -0.000 0.000 0.226 350 D C 0.182 176.440 176.300 -0.071 0.000 1.076 350 D CA -0.065 53.773 54.000 -0.270 0.000 0.849 350 D CB 0.728 41.493 40.800 -0.059 0.000 1.052 350 D HN 0.380 nan 8.370 nan 0.000 0.515 351 Y N 2.227 122.495 120.300 -0.054 0.000 2.569 351 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 351 Y C 2.133 178.030 175.900 -0.005 0.000 1.144 351 Y CA 0.514 58.600 58.100 -0.024 0.000 1.321 351 Y CB -0.630 37.823 38.460 -0.013 0.000 0.982 351 Y HN 0.562 nan 8.280 nan 0.000 0.558 352 N N -0.696 118.085 118.700 0.136 0.000 2.331 352 N HA -0.127 4.613 4.740 -0.000 0.000 0.180 352 N C 0.517 176.070 175.510 0.071 0.000 1.019 352 N CA 1.117 54.224 53.050 0.096 0.000 0.881 352 N CB -0.022 38.510 38.487 0.074 0.000 0.972 352 N HN 0.223 nan 8.380 nan 0.000 0.435 353 C N 1.109 120.444 119.300 0.060 0.000 2.589 353 C HA 0.344 4.804 4.460 -0.000 0.000 0.307 353 C C 0.646 175.653 174.990 0.028 0.000 1.328 353 C CA -0.758 58.279 59.018 0.032 0.000 1.742 353 C CB -1.174 26.577 27.740 0.018 0.000 2.037 353 C HN 0.103 nan 8.230 nan 0.000 0.592 354 V N 3.711 123.657 119.914 0.052 0.000 2.406 354 V HA 0.456 4.576 4.120 -0.000 0.000 0.272 354 V C -2.369 173.724 176.094 -0.001 0.000 1.043 354 V CA -1.555 60.784 62.300 0.064 0.000 0.915 354 V CB 1.385 33.255 31.823 0.079 0.000 0.988 354 V HN 0.191 nan 8.190 nan 0.000 0.466 355 P HA 0.453 nan 4.420 nan 0.000 0.276 355 P C -1.113 176.028 177.300 -0.265 0.000 1.261 355 P CA -0.351 62.627 63.100 -0.203 0.000 0.800 355 P CB 0.827 32.379 31.700 -0.246 0.000 1.066 356 S N -0.533 114.776 115.700 -0.652 0.000 2.547 356 S HA 0.550 5.020 4.470 -0.000 0.000 0.281 356 S C -1.041 173.058 174.600 -0.835 0.000 1.118 356 S CA -0.539 57.184 58.200 -0.794 0.000 0.947 356 S CB 1.285 63.631 63.200 -1.422 0.000 1.053 356 S HN 0.154 nan 8.310 nan 0.000 0.482 357 V N 3.629 123.253 119.914 -0.483 0.000 2.482 357 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 357 V C -0.890 175.016 176.094 -0.313 0.000 1.026 357 V CA -0.710 61.290 62.300 -0.501 0.000 0.856 357 V CB 1.385 32.799 31.823 -0.681 0.000 1.001 357 V HN 0.822 nan 8.190 nan 0.000 0.424 358 I N 4.301 124.728 120.570 -0.239 0.000 2.328 358 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 358 I C -0.479 175.623 176.117 -0.025 0.000 1.012 358 I CA -0.094 61.206 61.300 0.001 0.000 1.195 358 I CB 0.824 38.877 38.000 0.089 0.000 1.350 358 I HN 0.546 nan 8.210 nan 0.000 0.464 359 Y N 5.493 125.801 120.300 0.013 0.000 2.740 359 Y HA 0.209 4.759 4.550 -0.000 0.000 0.356 359 Y C 1.409 177.318 175.900 0.015 0.000 1.101 359 Y CA -0.075 58.017 58.100 -0.014 0.000 1.477 359 Y CB -1.094 37.349 38.460 -0.028 0.000 1.296 359 Y HN 0.672 nan 8.280 nan 0.000 0.507 360 T N -2.651 112.023 114.554 0.200 0.000 2.715 360 T HA 0.065 4.415 4.350 -0.000 0.000 0.320 360 T C -0.258 174.508 174.700 0.110 0.000 1.046 360 T CA -0.404 61.815 62.100 0.199 0.000 0.983 360 T CB 0.858 69.925 68.868 0.332 0.000 1.183 360 T HN 0.299 nan 8.240 nan 0.000 0.522 361 H N 1.685 120.771 119.070 0.026 0.000 2.906 361 H HA 0.373 4.929 4.556 -0.000 0.000 0.324 361 H C -2.600 172.761 175.328 0.055 0.000 0.973 361 H CA -1.797 54.222 56.048 -0.048 0.000 1.321 361 H CB 1.751 31.379 29.762 -0.224 0.000 1.535 361 H HN 0.507 nan 8.280 nan 0.000 0.518 362 P HA 0.073 nan 4.420 nan 0.000 0.272 362 P C -0.279 176.979 177.300 -0.069 0.000 1.223 362 P CA -0.331 62.698 63.100 -0.120 0.000 0.784 362 P CB 1.796 33.508 31.700 0.020 0.000 0.923 363 E N 0.225 120.274 120.200 -0.253 0.000 2.373 363 E HA 0.307 4.657 4.350 -0.000 0.000 0.263 363 E C -0.427 176.053 176.600 -0.201 0.000 1.073 363 E CA -0.664 55.601 56.400 -0.225 0.000 0.894 363 E CB 0.835 30.347 29.700 -0.313 0.000 1.008 363 E HN 0.197 nan 8.360 nan 0.000 0.420 364 V N 0.972 120.734 119.914 -0.254 0.000 2.604 364 V HA 0.685 4.805 4.120 -0.000 0.000 0.305 364 V C -0.373 175.649 176.094 -0.119 0.000 1.043 364 V CA -0.690 61.483 62.300 -0.212 0.000 0.888 364 V CB 1.513 33.090 31.823 -0.411 0.000 0.995 364 V HN 0.800 nan 8.190 nan 0.000 0.429 365 A N 4.247 127.060 122.820 -0.012 0.000 2.520 365 A HA 0.989 5.309 4.320 -0.000 0.000 0.298 365 A C -1.587 176.067 177.584 0.115 0.000 1.051 365 A CA -0.629 51.336 52.037 -0.121 0.000 0.690 365 A CB 1.626 20.471 19.000 -0.258 0.000 1.281 365 A HN 1.381 nan 8.150 nan 0.000 0.402 366 W N 0.343 121.541 121.300 -0.170 0.000 3.137 366 W HA 0.763 5.422 4.660 -0.000 0.000 0.324 366 W C -1.750 174.631 176.519 -0.229 0.000 1.253 366 W CA -1.140 56.044 57.345 -0.269 0.000 1.183 366 W CB 1.163 30.465 29.460 -0.262 0.000 1.424 366 W HN 0.980 nan 8.180 nan 0.000 0.566 367 V N 2.357 122.188 119.914 -0.137 0.000 3.147 367 V HA 0.872 4.992 4.120 -0.000 0.000 0.306 367 V C 0.376 176.453 176.094 -0.027 0.000 1.209 367 V CA 0.180 62.414 62.300 -0.111 0.000 1.023 367 V CB 1.339 33.089 31.823 -0.121 0.000 1.059 367 V HN 2.173 nan 8.190 nan 0.000 0.435 368 G N 4.116 112.936 108.800 0.033 0.000 2.645 368 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.246 368 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.246 368 G C -0.581 174.391 174.900 0.120 0.000 1.322 368 G CA 0.130 45.269 45.100 0.064 0.000 0.898 368 G HN 0.938 nan 8.290 nan 0.000 0.573 369 K N 0.664 121.133 120.400 0.115 0.000 2.144 369 K HA 0.536 4.856 4.320 -0.000 0.000 0.270 369 K C 1.015 177.744 176.600 0.215 0.000 1.005 369 K CA 0.287 56.644 56.287 0.117 0.000 0.932 369 K CB 1.394 33.914 32.500 0.033 0.000 1.021 369 K HN 1.005 nan 8.250 nan 0.000 0.462 370 S N -0.102 115.652 115.700 0.090 0.000 2.669 370 S HA 0.124 4.594 4.470 -0.000 0.000 0.270 370 S C 1.162 175.631 174.600 -0.217 0.000 1.225 370 S CA -0.543 57.596 58.200 -0.102 0.000 0.991 370 S CB 1.427 64.497 63.200 -0.217 0.000 0.987 370 S HN 0.651 nan 8.310 nan 0.000 0.552 371 E N 0.337 120.345 120.200 -0.319 0.000 2.110 371 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 371 E C 1.558 178.017 176.600 -0.236 0.000 0.988 371 E CA 1.317 57.516 56.400 -0.335 0.000 0.804 371 E CB -0.125 29.437 29.700 -0.230 0.000 0.745 371 E HN 0.752 nan 8.360 nan 0.000 0.458 372 E N 0.648 120.739 120.200 -0.183 0.000 2.058 372 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 372 E C 2.055 178.594 176.600 -0.101 0.000 0.997 372 E CA 1.473 57.799 56.400 -0.123 0.000 0.801 372 E CB -0.148 29.473 29.700 -0.132 0.000 0.746 372 E HN 0.348 nan 8.360 nan 0.000 0.450 373 Q N -0.040 119.696 119.800 -0.107 0.000 2.124 373 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 373 Q C 2.264 178.218 176.000 -0.076 0.000 0.977 373 Q CA 0.969 56.731 55.803 -0.067 0.000 0.850 373 Q CB -0.182 28.532 28.738 -0.041 0.000 0.901 373 Q HN 0.303 nan 8.270 nan 0.000 0.429 374 L N 0.688 121.822 121.223 -0.148 0.000 2.093 374 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 374 L C 2.309 179.151 176.870 -0.047 0.000 1.085 374 L CA 0.883 55.630 54.840 -0.155 0.000 0.755 374 L CB -0.496 41.314 42.059 -0.415 0.000 0.904 374 L HN 0.156 nan 8.230 nan 0.000 0.435 375 K N 0.615 120.996 120.400 -0.032 0.000 2.026 375 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 375 K C 1.869 178.483 176.600 0.023 0.000 1.048 375 K CA 1.366 57.678 56.287 0.042 0.000 0.929 375 K CB -0.322 32.200 32.500 0.037 0.000 0.713 375 K HN 0.407 nan 8.250 nan 0.000 0.439 376 E N 1.240 121.440 120.200 0.000 0.000 2.048 376 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 376 E C 1.759 178.367 176.600 0.013 0.000 1.021 376 E CA 1.728 58.130 56.400 0.004 0.000 0.825 376 E CB -0.129 29.569 29.700 -0.003 0.000 0.756 376 E HN 0.438 nan 8.360 nan 0.000 0.454 377 E N -0.546 119.661 120.200 0.012 0.000 2.511 377 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 377 E C 1.002 177.621 176.600 0.032 0.000 1.066 377 E CA 0.294 56.706 56.400 0.020 0.000 0.871 377 E CB 0.141 29.852 29.700 0.017 0.000 0.863 377 E HN 0.412 nan 8.360 nan 0.000 0.520 378 G N 1.962 110.787 108.800 0.042 0.000 2.233 378 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.270 378 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.270 378 G C 0.318 175.263 174.900 0.075 0.000 1.011 378 G CA 0.089 45.224 45.100 0.057 0.000 0.762 378 G HN 0.274 nan 8.290 nan 0.000 0.511 379 I N 0.182 120.806 120.570 0.090 0.000 2.754 379 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 379 I C 0.739 176.974 176.117 0.196 0.000 1.166 379 I CA 0.238 61.606 61.300 0.114 0.000 1.417 379 I CB 0.547 38.605 38.000 0.097 0.000 1.382 379 I HN 0.236 nan 8.210 nan 0.000 0.588 380 E N 5.715 126.004 120.200 0.149 0.000 2.146 380 E HA 0.363 4.713 4.350 -0.000 0.000 0.282 380 E C -1.390 175.312 176.600 0.170 0.000 0.989 380 E CA -0.385 56.084 56.400 0.116 0.000 0.799 380 E CB 1.118 30.830 29.700 0.019 0.000 1.088 380 E HN 0.403 nan 8.360 nan 0.000 0.397 381 Y N 0.422 120.728 120.300 0.010 0.000 2.605 381 Y HA 0.545 5.095 4.550 -0.000 0.000 0.343 381 Y C -0.654 175.252 175.900 0.010 0.000 1.036 381 Y CA -1.592 56.517 58.100 0.014 0.000 1.065 381 Y CB 1.044 39.516 38.460 0.020 0.000 1.288 381 Y HN 0.265 nan 8.280 nan 0.000 0.481 382 K N 1.313 121.736 120.400 0.039 0.000 2.258 382 K HA 0.829 5.149 4.320 -0.000 0.000 0.236 382 K C -1.256 175.428 176.600 0.141 0.000 1.008 382 K CA -1.017 55.254 56.287 -0.027 0.000 0.869 382 K CB 2.536 35.031 32.500 -0.009 0.000 1.171 382 K HN 0.857 nan 8.250 nan 0.000 0.447 383 V N -1.950 118.025 119.914 0.102 0.000 2.823 383 V HA 0.846 4.966 4.120 -0.000 0.000 0.312 383 V C -0.762 175.385 176.094 0.089 0.000 1.072 383 V CA -0.244 62.139 62.300 0.140 0.000 0.937 383 V CB 1.710 33.632 31.823 0.164 0.000 1.013 383 V HN 0.990 nan 8.190 nan 0.000 0.430 384 G N 4.123 112.974 108.800 0.085 0.000 2.617 384 G HA2 0.742 4.702 3.960 -0.000 0.000 0.306 384 G HA3 0.742 4.702 3.960 -0.000 0.000 0.306 384 G C -1.226 173.722 174.900 0.080 0.000 1.360 384 G CA -0.868 44.280 45.100 0.079 0.000 0.983 384 G HN 1.209 nan 8.290 nan 0.000 0.496 385 K N 0.412 120.871 120.400 0.098 0.000 2.502 385 K HA 0.769 5.089 4.320 -0.000 0.000 0.257 385 K C -2.174 174.477 176.600 0.086 0.000 0.938 385 K CA -1.063 55.265 56.287 0.070 0.000 0.819 385 K CB 2.754 35.273 32.500 0.032 0.000 1.333 385 K HN 0.351 nan 8.250 nan 0.000 0.434 386 F N 2.758 122.592 119.950 -0.193 0.000 2.561 386 F HA 0.465 4.992 4.527 -0.000 0.000 0.313 386 F C -2.780 172.743 175.800 -0.461 0.000 1.126 386 F CA -1.919 55.887 58.000 -0.323 0.000 0.918 386 F CB 2.346 41.197 39.000 -0.248 0.000 1.199 386 F HN 0.417 nan 8.300 nan 0.000 0.444 387 P HA 0.228 nan 4.420 nan 0.000 0.294 387 P C 0.278 177.256 177.300 -0.536 0.000 1.294 387 P CA -0.225 62.466 63.100 -0.681 0.000 0.827 387 P CB 0.842 32.120 31.700 -0.702 0.000 0.992 388 F N 1.880 121.762 119.950 -0.114 0.000 2.481 388 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 388 F C 2.279 178.055 175.800 -0.040 0.000 1.095 388 F CA 1.515 59.514 58.000 -0.001 0.000 1.465 388 F CB -1.058 37.958 39.000 0.027 0.000 1.098 388 F HN 0.373 nan 8.300 nan 0.000 0.585 389 A N -0.709 122.101 122.820 -0.017 0.000 2.238 389 A HA 0.432 4.752 4.320 -0.000 0.000 0.208 389 A C 1.969 179.525 177.584 -0.047 0.000 1.177 389 A CA 0.863 52.892 52.037 -0.013 0.000 0.804 389 A CB -0.614 18.359 19.000 -0.044 0.000 0.823 389 A HN 0.195 nan 8.150 nan 0.000 0.482 390 A N -0.382 122.343 122.820 -0.158 0.000 2.503 390 A HA 0.234 4.554 4.320 -0.000 0.000 0.263 390 A C 0.470 178.187 177.584 0.223 0.000 1.258 390 A CA -0.331 51.667 52.037 -0.065 0.000 0.936 390 A CB -0.157 18.620 19.000 -0.371 0.000 1.070 390 A HN 0.387 nan 8.150 nan 0.000 0.522 391 N N 0.463 119.319 118.700 0.261 0.000 2.437 391 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 391 N C 0.526 176.151 175.510 0.191 0.000 0.983 391 N CA 0.217 53.465 53.050 0.330 0.000 0.937 391 N CB 1.209 39.949 38.487 0.421 0.000 1.122 391 N HN 0.068 nan 8.380 nan 0.000 0.499 392 S N 3.641 119.421 115.700 0.132 0.000 2.401 392 S HA -0.282 4.188 4.470 -0.000 0.000 0.236 392 S C 1.732 176.362 174.600 0.049 0.000 1.058 392 S CA 1.677 59.922 58.200 0.074 0.000 1.151 392 S CB -0.287 62.921 63.200 0.014 0.000 1.049 392 S HN 0.707 nan 8.310 nan 0.000 0.432 393 R N 1.649 122.154 120.500 0.010 0.000 2.094 393 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 393 R C 2.339 178.674 176.300 0.058 0.000 1.137 393 R CA 1.863 57.975 56.100 0.022 0.000 0.943 393 R CB -1.080 29.227 30.300 0.011 0.000 0.850 393 R HN 0.362 nan 8.270 nan 0.000 0.433 394 A N 0.324 123.200 122.820 0.094 0.000 1.892 394 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 394 A C 2.130 179.768 177.584 0.091 0.000 1.188 394 A CA 2.169 54.263 52.037 0.096 0.000 0.631 394 A CB -0.612 18.497 19.000 0.181 0.000 0.822 394 A HN 0.323 nan 8.150 nan 0.000 0.447 395 K N -0.727 119.732 120.400 0.098 0.000 2.103 395 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 395 K C 1.988 178.631 176.600 0.073 0.000 1.052 395 K CA 1.938 58.276 56.287 0.086 0.000 0.945 395 K CB -0.739 31.815 32.500 0.090 0.000 0.722 395 K HN 0.446 nan 8.250 nan 0.000 0.443 396 T N 0.638 115.234 114.554 0.069 0.000 2.821 396 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 396 T C 1.069 175.804 174.700 0.058 0.000 1.046 396 T CA 1.657 63.793 62.100 0.060 0.000 1.139 396 T CB -0.286 68.616 68.868 0.056 0.000 0.871 396 T HN 0.295 nan 8.240 nan 0.000 0.454 397 N N 0.947 119.684 118.700 0.063 0.000 2.398 397 N HA 0.403 5.143 4.740 -0.000 0.000 0.188 397 N C 0.543 176.100 175.510 0.078 0.000 1.122 397 N CA 0.520 53.611 53.050 0.069 0.000 0.866 397 N CB -0.046 38.485 38.487 0.074 0.000 0.970 397 N HN 0.387 nan 8.380 nan 0.000 0.462 398 A N 1.131 123.995 122.820 0.075 0.000 2.303 398 A HA -0.171 4.149 4.320 -0.000 0.000 0.286 398 A C -0.401 177.239 177.584 0.093 0.000 1.429 398 A CA 0.893 52.977 52.037 0.078 0.000 0.738 398 A CB -1.654 17.389 19.000 0.072 0.000 1.149 398 A HN 0.329 nan 8.150 nan 0.000 0.364 399 D N 0.329 120.786 120.400 0.094 0.000 2.474 399 D HA 0.402 5.042 4.640 -0.000 0.000 0.234 399 D C 0.327 176.675 176.300 0.080 0.000 1.323 399 D CA 0.551 54.616 54.000 0.108 0.000 0.915 399 D CB 0.119 40.999 40.800 0.133 0.000 1.487 399 D HN 0.745 nan 8.370 nan 0.000 0.524 400 T N -0.835 113.776 114.554 0.094 0.000 3.516 400 T HA 0.272 4.622 4.350 -0.000 0.000 0.300 400 T C -0.015 174.764 174.700 0.131 0.000 0.995 400 T CA -0.697 61.473 62.100 0.116 0.000 0.982 400 T CB 0.168 69.101 68.868 0.108 0.000 1.199 400 T HN 0.023 nan 8.240 nan 0.000 0.481 401 D N 1.939 122.409 120.400 0.117 0.000 2.372 401 D HA 0.510 5.150 4.640 -0.000 0.000 0.243 401 D C 1.190 177.606 176.300 0.193 0.000 1.121 401 D CA 1.220 55.296 54.000 0.127 0.000 0.898 401 D CB 1.113 41.985 40.800 0.119 0.000 1.202 401 D HN 0.642 nan 8.370 nan 0.000 0.428 402 G N 0.218 109.124 108.800 0.176 0.000 2.587 402 G HA2 0.098 4.058 3.960 -0.000 0.000 0.212 402 G HA3 0.098 4.058 3.960 -0.000 0.000 0.212 402 G C -0.521 174.505 174.900 0.210 0.000 1.327 402 G CA -0.001 45.230 45.100 0.218 0.000 0.898 402 G HN 0.819 nan 8.290 nan 0.000 0.551 403 M N -3.451 116.249 119.600 0.168 0.000 2.956 403 M HA 0.710 5.190 4.480 -0.000 0.000 0.272 403 M C -1.345 174.865 176.300 -0.150 0.000 1.132 403 M CA -1.170 54.037 55.300 -0.155 0.000 0.805 403 M CB 1.588 34.118 32.600 -0.118 0.000 1.639 403 M HN 1.087 nan 8.290 nan 0.000 0.520 404 V N 1.826 121.601 119.914 -0.231 0.000 2.435 404 V HA 0.663 4.783 4.120 -0.000 0.000 0.290 404 V C -0.759 175.355 176.094 0.034 0.000 1.030 404 V CA -0.380 61.897 62.300 -0.039 0.000 0.881 404 V CB 1.833 33.634 31.823 -0.037 0.000 0.983 404 V HN 0.793 nan 8.190 nan 0.000 0.445 405 K N 5.613 126.078 120.400 0.108 0.000 2.502 405 K HA 0.533 4.853 4.320 -0.000 0.000 0.254 405 K C -1.502 175.199 176.600 0.168 0.000 0.947 405 K CA -0.661 55.692 56.287 0.111 0.000 0.834 405 K CB 1.321 33.872 32.500 0.085 0.000 1.112 405 K HN 0.441 nan 8.250 nan 0.000 0.427 406 I N 5.592 126.232 120.570 0.117 0.000 2.331 406 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 406 I C 0.009 176.206 176.117 0.133 0.000 0.998 406 I CA -0.897 60.474 61.300 0.117 0.000 1.267 406 I CB 1.180 39.194 38.000 0.024 0.000 1.386 406 I HN 0.642 nan 8.210 nan 0.000 0.476 407 L N 5.843 127.159 121.223 0.156 0.000 2.265 407 L HA 0.539 4.879 4.340 -0.000 0.000 0.288 407 L C 0.692 177.645 176.870 0.140 0.000 1.058 407 L CA -0.320 54.609 54.840 0.147 0.000 0.809 407 L CB 1.157 43.259 42.059 0.071 0.000 1.179 407 L HN 0.694 nan 8.230 nan 0.000 0.429 408 G N 1.794 110.699 108.800 0.174 0.000 2.415 408 G HA2 0.406 4.366 3.960 -0.000 0.000 0.327 408 G HA3 0.406 4.366 3.960 -0.000 0.000 0.327 408 G C -0.778 174.218 174.900 0.160 0.000 1.182 408 G CA -0.483 44.696 45.100 0.132 0.000 0.924 408 G HN 0.504 nan 8.290 nan 0.000 0.470 409 Q N 1.664 121.537 119.800 0.121 0.000 2.239 409 Q HA 0.005 4.345 4.340 -0.000 0.000 0.286 409 Q C 1.590 177.638 176.000 0.080 0.000 1.102 409 Q CA 0.412 56.282 55.803 0.110 0.000 0.936 409 Q CB 0.926 29.712 28.738 0.080 0.000 1.127 409 Q HN 0.675 nan 8.270 nan 0.000 0.380 410 K N 2.492 122.935 120.400 0.071 0.000 2.034 410 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 410 K C 1.028 177.638 176.600 0.017 0.000 1.051 410 K CA 2.224 58.526 56.287 0.025 0.000 0.931 410 K CB -0.034 32.464 32.500 -0.003 0.000 0.715 410 K HN 0.684 nan 8.250 nan 0.000 0.446 411 S N -0.992 114.721 115.700 0.022 0.000 2.456 411 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 411 S C 1.797 176.408 174.600 0.020 0.000 1.035 411 S CA 0.973 59.181 58.200 0.014 0.000 0.940 411 S CB 0.424 63.631 63.200 0.013 0.000 0.799 411 S HN 0.665 nan 8.310 nan 0.000 0.508 412 T N -1.168 113.404 114.554 0.029 0.000 3.044 412 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 412 T C 0.440 175.161 174.700 0.035 0.000 1.081 412 T CA 0.778 62.896 62.100 0.031 0.000 1.040 412 T CB -0.335 68.554 68.868 0.035 0.000 0.962 412 T HN 0.187 nan 8.240 nan 0.000 0.506 413 D N 0.624 121.048 120.400 0.039 0.000 2.870 413 D HA -0.189 4.451 4.640 -0.000 0.000 0.228 413 D C 0.025 176.353 176.300 0.047 0.000 1.147 413 D CA 0.546 54.571 54.000 0.041 0.000 0.757 413 D CB -1.406 39.414 40.800 0.032 0.000 1.091 413 D HN 0.734 nan 8.370 nan 0.000 0.429 414 R N -0.219 120.314 120.500 0.055 0.000 2.357 414 R HA 0.512 4.852 4.340 -0.000 0.000 0.296 414 R C -0.214 176.127 176.300 0.069 0.000 1.052 414 R CA -0.707 55.429 56.100 0.060 0.000 0.988 414 R CB 0.941 31.277 30.300 0.060 0.000 1.025 414 R HN -0.007 nan 8.270 nan 0.000 0.469 415 V N 6.684 126.642 119.914 0.072 0.000 2.637 415 V HA 0.032 4.152 4.120 -0.000 0.000 0.296 415 V C 1.085 177.228 176.094 0.083 0.000 1.046 415 V CA 0.169 62.517 62.300 0.081 0.000 1.066 415 V CB 1.190 33.069 31.823 0.092 0.000 0.968 415 V HN 0.832 nan 8.190 nan 0.000 0.483 416 L N 3.113 124.386 121.223 0.084 0.000 2.609 416 L HA 0.535 4.875 4.340 -0.000 0.000 0.230 416 L C 0.937 177.851 176.870 0.074 0.000 1.064 416 L CA 0.595 55.477 54.840 0.070 0.000 0.873 416 L CB 0.563 42.654 42.059 0.053 0.000 1.139 416 L HN 0.812 nan 8.230 nan 0.000 0.490 417 G N 0.152 109.008 108.800 0.094 0.000 2.733 417 G HA2 0.641 4.601 3.960 -0.000 0.000 0.297 417 G HA3 0.641 4.601 3.960 -0.000 0.000 0.297 417 G C -1.905 173.043 174.900 0.080 0.000 1.452 417 G CA -0.036 45.113 45.100 0.082 0.000 0.940 417 G HN -0.013 nan 8.290 nan 0.000 0.547 418 A N 2.159 124.942 122.820 -0.063 0.000 2.330 418 A HA 0.842 5.162 4.320 -0.000 0.000 0.313 418 A C -0.891 176.572 177.584 -0.201 0.000 1.124 418 A CA -0.719 51.345 52.037 0.046 0.000 0.774 418 A CB 1.055 20.184 19.000 0.216 0.000 1.198 418 A HN 0.734 nan 8.150 nan 0.000 0.465 419 H N 2.716 121.881 119.070 0.158 0.000 2.658 419 H HA 0.494 5.050 4.556 -0.000 0.000 0.337 419 H C -1.120 174.278 175.328 0.116 0.000 1.009 419 H CA -0.183 55.949 56.048 0.139 0.000 1.231 419 H CB 1.517 31.309 29.762 0.051 0.000 1.508 419 H HN 0.547 nan 8.280 nan 0.000 0.517 420 I N 4.037 124.727 120.570 0.200 0.000 2.545 420 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 420 I C -0.898 175.311 176.117 0.154 0.000 1.040 420 I CA -0.966 60.442 61.300 0.181 0.000 1.068 420 I CB 2.650 40.736 38.000 0.144 0.000 1.251 420 I HN 0.201 nan 8.210 nan 0.000 0.424 421 L N 5.937 127.287 121.223 0.212 0.000 2.441 421 L HA 0.948 5.288 4.340 -0.000 0.000 0.270 421 L C -0.268 176.742 176.870 0.234 0.000 0.973 421 L CA 0.369 55.290 54.840 0.134 0.000 0.842 421 L CB 1.289 43.411 42.059 0.104 0.000 1.239 421 L HN 0.868 nan 8.230 nan 0.000 0.406 422 G N 4.235 113.047 108.800 0.021 0.000 2.334 422 G HA2 0.092 4.052 3.960 -0.000 0.000 0.315 422 G HA3 0.092 4.052 3.960 -0.000 0.000 0.315 422 G C -3.317 171.283 174.900 -0.500 0.000 1.284 422 G CA -0.599 44.385 45.100 -0.195 0.000 0.985 422 G HN 0.521 nan 8.290 nan 0.000 0.504 423 P HA 0.302 nan 4.420 nan 0.000 0.267 423 P C 1.227 178.246 177.300 -0.468 0.000 1.200 423 P CA 1.813 64.583 63.100 -0.550 0.000 0.772 423 P CB 0.520 31.962 31.700 -0.430 0.000 0.855 424 G N 2.503 111.121 108.800 -0.302 0.000 2.225 424 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.272 424 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.272 424 G C 1.261 176.053 174.900 -0.179 0.000 0.996 424 G CA 0.764 45.747 45.100 -0.196 0.000 0.710 424 G HN 0.729 nan 8.290 nan 0.000 0.522 425 A N -0.082 122.615 122.820 -0.205 0.000 1.958 425 A HA 0.079 4.399 4.320 -0.000 0.000 0.221 425 A C 2.927 180.387 177.584 -0.207 0.000 1.178 425 A CA 2.356 54.309 52.037 -0.141 0.000 0.642 425 A CB -1.125 17.796 19.000 -0.133 0.000 0.816 425 A HN 1.695 nan 8.150 nan 0.000 0.453 426 G N -0.566 108.074 108.800 -0.267 0.000 2.529 426 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 426 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 426 G C 1.391 176.160 174.900 -0.218 0.000 1.177 426 G CA 1.233 46.145 45.100 -0.312 0.000 0.773 426 G HN 0.524 nan 8.290 nan 0.000 0.573 427 E N -0.410 119.699 120.200 -0.152 0.000 2.170 427 E HA 0.096 4.446 4.350 -0.000 0.000 0.191 427 E C 2.365 178.877 176.600 -0.146 0.000 0.981 427 E CA 0.192 56.519 56.400 -0.121 0.000 0.830 427 E CB -0.293 29.363 29.700 -0.074 0.000 0.775 427 E HN 0.511 nan 8.360 nan 0.000 0.470 428 M N 0.362 119.868 119.600 -0.157 0.000 2.229 428 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 428 M C 2.166 178.288 176.300 -0.297 0.000 1.063 428 M CA 0.773 55.952 55.300 -0.201 0.000 1.114 428 M CB 0.071 32.586 32.600 -0.142 0.000 1.387 428 M HN -0.053 nan 8.290 nan 0.000 0.420 429 V N 1.431 121.191 119.914 -0.257 0.000 2.594 429 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 429 V C 1.684 177.624 176.094 -0.256 0.000 1.069 429 V CA 1.925 64.061 62.300 -0.274 0.000 1.082 429 V CB -0.768 30.895 31.823 -0.266 0.000 0.680 429 V HN 0.566 nan 8.190 nan 0.000 0.469 430 N N 0.109 118.678 118.700 -0.219 0.000 2.149 430 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 430 N C 1.817 177.236 175.510 -0.152 0.000 1.019 430 N CA 1.792 54.740 53.050 -0.170 0.000 0.857 430 N CB -0.331 38.074 38.487 -0.137 0.000 0.997 430 N HN 0.678 nan 8.380 nan 0.000 0.426 431 E N 0.720 120.798 120.200 -0.203 0.000 2.047 431 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 431 E C 1.845 178.338 176.600 -0.179 0.000 0.987 431 E CA 0.935 57.238 56.400 -0.161 0.000 0.799 431 E CB -0.028 29.551 29.700 -0.202 0.000 0.752 431 E HN 0.298 nan 8.360 nan 0.000 0.449 432 A N 1.405 123.973 122.820 -0.420 0.000 1.892 432 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 432 A C 2.403 179.967 177.584 -0.033 0.000 1.188 432 A CA 2.238 54.164 52.037 -0.184 0.000 0.631 432 A CB -0.900 17.968 19.000 -0.220 0.000 0.822 432 A HN 0.428 nan 8.150 nan 0.000 0.447 433 A N -0.637 122.129 122.820 -0.090 0.000 1.902 433 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 433 A C 2.241 179.814 177.584 -0.019 0.000 1.181 433 A CA 1.517 53.521 52.037 -0.055 0.000 0.623 433 A CB -0.639 18.309 19.000 -0.087 0.000 0.818 433 A HN 0.604 nan 8.150 nan 0.000 0.443 434 L N -0.721 120.496 121.223 -0.010 0.000 2.046 434 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 434 L C 2.839 179.771 176.870 0.103 0.000 1.077 434 L CA 1.482 56.336 54.840 0.022 0.000 0.747 434 L CB -0.329 41.768 42.059 0.064 0.000 0.896 434 L HN 0.409 nan 8.230 nan 0.000 0.432 435 A N -0.404 122.505 122.820 0.148 0.000 1.930 435 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 435 A C 2.185 179.870 177.584 0.169 0.000 1.175 435 A CA 1.370 53.535 52.037 0.213 0.000 0.627 435 A CB -0.752 18.400 19.000 0.253 0.000 0.815 435 A HN 0.477 nan 8.150 nan 0.000 0.443 436 L N -0.849 120.442 121.223 0.115 0.000 2.187 436 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 436 L C 2.510 179.419 176.870 0.064 0.000 1.100 436 L CA 1.522 56.414 54.840 0.087 0.000 0.765 436 L CB -0.313 41.782 42.059 0.060 0.000 0.904 436 L HN 0.364 nan 8.230 nan 0.000 0.437 437 E N -0.887 119.325 120.200 0.020 0.000 2.208 437 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 437 E C 1.141 177.686 176.600 -0.090 0.000 0.988 437 E CA 0.970 57.331 56.400 -0.065 0.000 0.828 437 E CB 0.033 29.626 29.700 -0.178 0.000 0.763 437 E HN 0.377 nan 8.360 nan 0.000 0.478 438 Y N -0.848 119.477 120.300 0.042 0.000 2.485 438 Y HA 0.306 4.856 4.550 -0.000 0.000 0.260 438 Y C 1.246 177.169 175.900 0.038 0.000 1.173 438 Y CA 0.227 58.349 58.100 0.036 0.000 1.252 438 Y CB 0.673 39.154 38.460 0.035 0.000 1.123 438 Y HN 0.077 nan 8.280 nan 0.000 0.524 439 G N 0.617 109.521 108.800 0.173 0.000 2.221 439 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.265 439 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.265 439 G C 0.511 175.482 174.900 0.118 0.000 1.041 439 G CA 0.081 45.254 45.100 0.122 0.000 0.807 439 G HN 0.639 nan 8.290 nan 0.000 0.502 440 A N -0.331 122.573 122.820 0.139 0.000 2.448 440 A HA 0.723 5.043 4.320 -0.000 0.000 0.239 440 A C 1.061 178.695 177.584 0.083 0.000 1.080 440 A CA 1.011 53.116 52.037 0.113 0.000 0.779 440 A CB 0.386 19.468 19.000 0.137 0.000 1.026 440 A HN 2.113 nan 8.150 nan 0.000 0.499 441 S N -0.763 114.973 115.700 0.060 0.000 2.664 441 S HA 0.333 4.803 4.470 -0.000 0.000 0.304 441 S C 0.832 175.449 174.600 0.029 0.000 1.099 441 S CA -0.173 58.055 58.200 0.046 0.000 1.003 441 S CB 0.875 64.098 63.200 0.038 0.000 1.092 441 S HN 0.743 nan 8.310 nan 0.000 0.525 442 C N 0.855 120.165 119.300 0.016 0.000 2.411 442 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 442 C C 2.593 177.572 174.990 -0.018 0.000 1.288 442 C CA 1.304 60.310 59.018 -0.020 0.000 1.764 442 C CB -1.534 26.202 27.740 -0.006 0.000 1.974 442 C HN 1.067 nan 8.230 nan 0.000 0.498 443 E N 0.766 120.972 120.200 0.010 0.000 2.158 443 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 443 E C 1.412 178.018 176.600 0.009 0.000 0.982 443 E CA 0.956 57.365 56.400 0.015 0.000 0.823 443 E CB -0.109 29.610 29.700 0.031 0.000 0.766 443 E HN 0.588 nan 8.360 nan 0.000 0.468 444 D N 0.638 121.046 120.400 0.013 0.000 2.144 444 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 444 D C 2.007 178.320 176.300 0.023 0.000 0.984 444 D CA 0.909 54.917 54.000 0.013 0.000 0.834 444 D CB -0.066 40.744 40.800 0.017 0.000 0.955 444 D HN 0.278 nan 8.370 nan 0.000 0.465 445 I N 1.491 122.076 120.570 0.024 0.000 2.252 445 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 445 I C 2.469 178.620 176.117 0.056 0.000 1.102 445 I CA 0.906 62.236 61.300 0.051 0.000 1.385 445 I CB -0.168 37.802 38.000 -0.050 0.000 1.064 445 I HN -0.105 nan 8.210 nan 0.000 0.414 446 A N 0.031 122.841 122.820 -0.016 0.000 2.066 446 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 446 A C 2.218 179.808 177.584 0.010 0.000 1.157 446 A CA 1.066 53.086 52.037 -0.029 0.000 0.670 446 A CB -0.430 18.534 19.000 -0.060 0.000 0.804 446 A HN 0.322 nan 8.150 nan 0.000 0.453 447 R N -0.578 119.931 120.500 0.015 0.000 2.310 447 R HA 0.154 4.494 4.340 -0.000 0.000 0.202 447 R C -0.215 176.093 176.300 0.013 0.000 0.933 447 R CA -0.041 56.065 56.100 0.008 0.000 1.054 447 R CB -0.056 30.243 30.300 -0.002 0.000 0.985 447 R HN 0.320 nan 8.270 nan 0.000 0.489 448 V N 1.385 121.317 119.914 0.030 0.000 2.715 448 V HA -0.036 4.084 4.120 -0.000 0.000 0.299 448 V C 0.576 176.659 176.094 -0.018 0.000 1.054 448 V CA -0.600 61.680 62.300 -0.032 0.000 1.077 448 V CB 1.494 33.251 31.823 -0.110 0.000 0.972 448 V HN 0.292 nan 8.190 nan 0.000 0.484 449 C N 6.627 125.890 119.300 -0.062 0.000 2.442 449 C HA 0.425 4.885 4.460 -0.000 0.000 0.362 449 C C 0.316 175.279 174.990 -0.046 0.000 1.242 449 C CA -0.567 58.447 59.018 -0.006 0.000 1.741 449 C CB -1.793 25.942 27.740 -0.009 0.000 2.378 449 C HN 0.917 nan 8.230 nan 0.000 0.549 450 H N 3.681 122.768 119.070 0.028 0.000 2.502 450 H HA 0.516 5.072 4.556 -0.000 0.000 0.327 450 H C 0.703 176.064 175.328 0.054 0.000 1.099 450 H CA 0.600 56.673 56.048 0.041 0.000 1.323 450 H CB 1.197 30.984 29.762 0.042 0.000 1.450 450 H HN 0.924 nan 8.280 nan 0.000 0.502 451 A N 2.600 125.516 122.820 0.159 0.000 2.565 451 A HA 0.038 4.358 4.320 -0.000 0.000 0.237 451 A C -0.260 177.417 177.584 0.156 0.000 1.053 451 A CA 0.369 52.483 52.037 0.128 0.000 0.755 451 A CB -0.400 18.655 19.000 0.091 0.000 0.980 451 A HN 0.908 nan 8.150 nan 0.000 0.506 452 H N 2.065 121.170 119.070 0.058 0.000 2.492 452 H HA 0.637 5.193 4.556 -0.000 0.000 0.345 452 H C -2.319 173.038 175.328 0.047 0.000 1.136 452 H CA -1.525 54.555 56.048 0.053 0.000 1.202 452 H CB 1.403 31.191 29.762 0.043 0.000 1.524 452 H HN 0.603 nan 8.280 nan 0.000 0.506 453 P HA 0.275 nan 4.420 nan 0.000 0.303 453 P C -1.335 175.864 177.300 -0.168 0.000 1.350 453 P CA -0.635 62.166 63.100 -0.497 0.000 0.880 453 P CB 1.815 33.186 31.700 -0.548 0.000 1.018 454 T N -0.538 113.940 114.554 -0.126 0.000 2.887 454 T HA 0.308 4.658 4.350 -0.000 0.000 0.292 454 T C 0.973 175.680 174.700 0.011 0.000 1.087 454 T CA -0.812 61.277 62.100 -0.019 0.000 1.009 454 T CB 0.768 69.656 68.868 0.032 0.000 1.203 454 T HN -0.046 nan 8.240 nan 0.000 0.518 455 L N 0.967 122.221 121.223 0.052 0.000 2.083 455 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 455 L C 2.783 179.755 176.870 0.170 0.000 1.083 455 L CA 1.587 56.509 54.840 0.136 0.000 0.752 455 L CB -1.897 40.201 42.059 0.066 0.000 0.899 455 L HN 0.857 nan 8.230 nan 0.000 0.433 456 S N -0.261 115.500 115.700 0.102 0.000 2.440 456 S HA -0.213 4.257 4.470 -0.000 0.000 0.240 456 S C 1.589 176.156 174.600 -0.055 0.000 1.014 456 S CA 0.958 59.210 58.200 0.087 0.000 0.980 456 S CB -0.278 63.020 63.200 0.163 0.000 0.775 456 S HN 0.551 nan 8.310 nan 0.000 0.499 457 E N 0.840 120.986 120.200 -0.090 0.000 2.472 457 E HA -0.013 4.337 4.350 -0.000 0.000 0.200 457 E C 2.058 178.450 176.600 -0.346 0.000 1.046 457 E CA 0.635 56.891 56.400 -0.241 0.000 0.871 457 E CB -0.132 29.470 29.700 -0.163 0.000 0.806 457 E HN 0.555 nan 8.360 nan 0.000 0.533 458 A N 1.115 123.811 122.820 -0.207 0.000 1.874 458 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 458 A C 1.880 179.285 177.584 -0.299 0.000 1.189 458 A CA 0.511 52.345 52.037 -0.339 0.000 0.615 458 A CB -0.554 18.345 19.000 -0.169 0.000 0.830 458 A HN 0.299 nan 8.150 nan 0.000 0.443 459 F N 0.979 120.775 119.950 -0.257 0.000 2.065 459 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 459 F C 2.355 178.010 175.800 -0.242 0.000 1.112 459 F CA 2.211 60.098 58.000 -0.188 0.000 1.212 459 F CB -0.450 38.481 39.000 -0.115 0.000 0.975 459 F HN 0.189 nan 8.300 nan 0.000 0.476 460 R N 0.484 120.704 120.500 -0.466 0.000 2.115 460 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 460 R C 2.248 178.295 176.300 -0.422 0.000 1.133 460 R CA 2.183 57.968 56.100 -0.524 0.000 0.935 460 R CB -0.630 29.286 30.300 -0.639 0.000 0.853 460 R HN 0.361 nan 8.270 nan 0.000 0.433 461 E N -0.182 119.729 120.200 -0.483 0.000 2.118 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 461 E C 1.820 178.255 176.600 -0.275 0.000 0.992 461 E CA 1.323 57.443 56.400 -0.467 0.000 0.804 461 E CB -0.163 28.943 29.700 -0.989 0.000 0.741 461 E HN 0.480 nan 8.360 nan 0.000 0.458 462 A N 1.206 123.863 122.820 -0.272 0.000 1.969 462 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 462 A C 1.891 179.400 177.584 -0.125 0.000 1.169 462 A CA 1.522 53.498 52.037 -0.102 0.000 0.635 462 A CB -0.562 18.391 19.000 -0.078 0.000 0.810 462 A HN 0.206 nan 8.150 nan 0.000 0.445 463 N N -0.429 118.116 118.700 -0.257 0.000 2.142 463 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 463 N C 1.589 177.045 175.510 -0.091 0.000 1.023 463 N CA 1.340 54.266 53.050 -0.207 0.000 0.852 463 N CB -0.244 38.046 38.487 -0.328 0.000 0.998 463 N HN 0.447 nan 8.380 nan 0.000 0.424 464 L N 0.639 121.805 121.223 -0.095 0.000 2.141 464 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 464 L C 1.938 178.845 176.870 0.062 0.000 1.094 464 L CA 1.274 56.101 54.840 -0.022 0.000 0.763 464 L CB -0.758 41.259 42.059 -0.069 0.000 0.908 464 L HN 0.109 nan 8.230 nan 0.000 0.437 465 A N 0.105 122.954 122.820 0.049 0.000 1.865 465 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 465 A C 2.466 180.102 177.584 0.087 0.000 1.191 465 A CA 2.017 54.117 52.037 0.107 0.000 0.623 465 A CB -1.357 17.723 19.000 0.134 0.000 0.826 465 A HN 0.596 nan 8.150 nan 0.000 0.444 466 A N -0.343 122.507 122.820 0.050 0.000 2.067 466 A HA 0.034 4.354 4.320 -0.000 0.000 0.219 466 A C 2.353 179.965 177.584 0.047 0.000 1.158 466 A CA 2.164 54.229 52.037 0.048 0.000 0.661 466 A CB -0.634 18.390 19.000 0.040 0.000 0.801 466 A HN 0.844 nan 8.150 nan 0.000 0.452 467 S N -1.468 114.268 115.700 0.060 0.000 2.339 467 S HA 0.057 4.527 4.470 -0.000 0.000 0.189 467 S C 1.674 176.334 174.600 0.100 0.000 0.966 467 S CA 0.802 59.043 58.200 0.069 0.000 0.925 467 S CB -1.092 62.150 63.200 0.071 0.000 0.890 467 S HN 0.377 nan 8.310 nan 0.000 0.539 468 F N 3.102 123.047 119.950 -0.008 0.000 2.111 468 F HA -0.000 4.527 4.527 -0.000 0.000 0.300 468 F C 1.999 177.800 175.800 0.000 0.000 1.088 468 F CA 2.258 60.256 58.000 -0.004 0.000 1.243 468 F CB -0.611 38.386 39.000 -0.004 0.000 0.996 468 F HN 0.680 nan 8.300 nan 0.000 0.483 469 G N -0.685 108.184 108.800 0.116 0.000 2.699 469 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.198 469 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.198 469 G C 0.084 175.051 174.900 0.113 0.000 1.033 469 G CA -0.031 45.087 45.100 0.030 0.000 0.728 469 G HN 0.468 nan 8.290 nan 0.000 0.484 470 K N 0.721 121.264 120.400 0.238 0.000 2.477 470 K HA 0.714 5.034 4.320 -0.000 0.000 0.255 470 K C 0.084 176.816 176.600 0.221 0.000 0.952 470 K CA -0.230 56.179 56.287 0.203 0.000 0.826 470 K CB 2.323 34.926 32.500 0.172 0.000 1.331 470 K HN 0.425 nan 8.250 nan 0.000 0.437 471 S N 0.593 116.407 115.700 0.189 0.000 2.647 471 S HA 0.405 4.875 4.470 -0.000 0.000 0.284 471 S C 0.911 175.583 174.600 0.121 0.000 1.134 471 S CA -0.783 57.502 58.200 0.142 0.000 1.027 471 S CB 0.391 63.709 63.200 0.197 0.000 1.180 471 S HN 0.478 nan 8.310 nan 0.000 0.521 472 I N 1.030 121.655 120.570 0.092 0.000 2.556 472 I HA 0.046 4.216 4.170 -0.000 0.000 0.251 472 I C 1.341 177.555 176.117 0.162 0.000 1.105 472 I CA 0.661 62.011 61.300 0.083 0.000 1.436 472 I CB -1.459 36.557 38.000 0.026 0.000 1.139 472 I HN 0.613 nan 8.210 nan 0.000 0.438 473 N N 0.221 119.080 118.700 0.265 0.000 2.449 473 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 473 N C 0.009 175.788 175.510 0.448 0.000 1.161 473 N CA 0.339 53.594 53.050 0.341 0.000 0.863 473 N CB 0.495 39.217 38.487 0.391 0.000 0.980 473 N HN 0.204 nan 8.380 nan 0.000 0.458 474 F N 0.000 120.085 119.950 0.225 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.048 58.000 0.079 0.000 1.383 474 F CB 0.000 38.954 39.000 -0.077 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574